SCHEMBL349638

SCHEMBL349638

CC(C)(COCc1ccccc1)c1cc2cc(N)c(F)cc2n1CC(O)COCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RGS12 O14924 4/20 0.42
▸ APOBEC3A P31941 3/20 0.42
▸ APOBEC3G Q9HC16 3/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MAPK1 P28482 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CTDSP1 Q9GZU7 1/20 0.39
▸ CA1 P00915 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ AGER Q15109 1/20 0.39
▸ CASR P41180 1/20 0.38
▸ TSHR P16473 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL349637 1.00 RGS12 (0.42) RGS12APOBEC3AAPOBEC3GMEN1TP53
SCHEMBL16727678 0.93 RGS12 (0.43) RGS12APOBEC3AAPOBEC3GMEN1TP53
SCHEMBL17920915 0.93 RGS12 (0.42) RGS12APOBEC3AAPOBEC3GMEN1TP53
SCHEMBL28667047 0.92 RGS12 (0.44) RGS12APOBEC3AAPOBEC3GMEN1TP53
SCHEMBL28667045 0.92 RGS12 (0.44) RGS12APOBEC3AAPOBEC3GMEN1TP53
SCHEMBL23750628 0.87 RGS12 (0.41) RGS12APOBEC3AAPOBEC3GMEN1KMT2A
SCHEMBL14998079 0.82 GRM5 (0.33) POLB
SCHEMBL14930066 0.82 KDM4E (0.39) USP2CASR
SCHEMBL20958044 0.79 RGS12 (0.41) RGS12APOBEC3AAPOBEC3GMEN1TP53
SCHEMBL20958045 0.79 RGS12 (0.41) RGS12APOBEC3AAPOBEC3GMEN1TP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 75 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11951212-B2 Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-04-09 — — US disclosed
US-20230331712-A1 SOLID FORMS OF (R)-1(2,2-DIFLUOROBENZO[D][1,3]DIOXOL-5-YL)-N-(1-(2,3-DIHYDROXYPROPYL)-6-FLUORO-2-(1-HYDROXY-2-METHYLPROPAN-2-YL)-1H-INDOL-5-YL)CYCLOPROPANECARBOXAMIDE VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-19 — — US disclosed
EP-4253381-A2 SOLID FORMS OF (R)-1-(2,2-DIFLUOROBENZO[D][1,3]D IOXOL-5-YL)-N-(1-(2,3-DIHYDROXYP ROPYL)-6-FLUORO-2-(1-HYDROXY- 2-METHYLPROPAN-2-YL)-1H-INDOL- 5-YL) CYCLOPROPANECARBOXAMIDE Vertex Pharmaceuticals Incorporated (US) 2023-10-04 — — EP disclosed
EP-4223294-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES Vertex Pharmaceuticals Incorporated (US) 2023-08-09 — — EP disclosed
EP-4223294-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES Vertex Pharmaceuticals Incorporated (US) 2023-08-09 — — EP disclosed
EP-3925607-B1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES VERTEX PHARMA (US) 2023-06-28 — — EP disclosed
EP-3925607-B1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES VERTEX PHARMA (US) 2023-06-28 — — EP disclosed
US-11578062-B2 Solid forms of (R)-1(2,2-difluorobenzo[d][1,3]dioxol-5-yl)-N-(1-(2,3-dihydroxypropyl)-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-14 — — US disclosed
CN-110840847-B Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases 沃泰克斯药物股份有限公司 2022-07-29 — — CN disclosed
CN-113912617-A Substituted tricycles and methods of use 艾伯维公司 2022-01-11 — — CN disclosed
US-8563593-B2 Formulations of (R)-1-(2,2-difluorobenzo[D] [1,3] dioxol-5-yl)-N-(1-(2,3-dihydroxypropyl)-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-10-22 — — US disclosed
US-20130158071-A1 PHARMACEUTICAL COMPOSITIONS AND ADMINISTRATIONS THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-20 — — US disclosed
US-20130143919-A1 PHARMACEUTICAL COMPOSITIONS AND ADMINISTRATIONS THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-06 — — US disclosed
US-20130131107-A1 PHARMACEUTICAL COMPOSITIONS AND ADMINISTRATIONS THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-23 — — US disclosed
EP-2560651-A1 PHARMACEUTICAL COMPOSITIONS AND ADMINISTRATIONS THEREOF Vertex Pharmaceuticals Incorporated (US) 2013-02-27 — — EP disclosed
EP-2560650-A1 PHARMACEUTICAL COMPOSITIONS AND ADMINISTRATIONS THEREOF Vertex Pharmaceuticals Incorporated (US) 2013-02-27 — — EP disclosed
US-20120015999-A1 FORMULATIONS OF (R)-1-(2,2-DIFLUOROBENZO[D] [1,3] DIOXOL-5-YL)-N-(1-(2,3-DIHYDROXYPROPYL)-6-FLUORO-2-(1-HYDROXY-2-METHYLPROPAN-2-YL)-1H-INDOL-5-YL)CYCLOPROPANECARBOXAMIDE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-19 — — US disclosed
WO-2011133953-A1 PHARMACEUTICAL COMPOSITIONS AND ADMINISTRATIONS THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-10-27 — — WO disclosed
WO-2011133956-A1 PHARMACEUTICAL COMPOSITIONS AND ADMINISTRATIONS THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-10-27 — — WO disclosed
US-20110257223-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-10-20 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110257223-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator CFTR, CLCN2, ABCB11 RGS12 138/4885APOBEC3A 4825/4885APOBEC3G 4782/4885
US-20230331712-A1 SOLID FORMS OF (R)-1(2,2-DIFLUOROBENZO[D][1,3]DIOXOL-5-YL)-N-(1-(2,3-DIHYDROXYPROPYL)-6-FLUORO-2-(1-HYDROXY-2-METHYLPROPAN-2-YL)-1H-INDOL-5-YL)CYCLOPROPANECARBOXAMIDE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HTR1A, HTR1D RGS12 3236/4885APOBEC3A 2347/4885APOBEC3G 2940/4885
US-20120015999-A1 FORMULATIONS OF (R)-1-(2,2-DIFLUOROBENZO[D] [1,3] DIOXOL-5-YL)-N-(1-(2,3-DIHYDROXYPROPYL)-6-FLUORO-2-(1-HYDROXY-2-METHYLPROPAN-2-YL)-1H-INDOL-5-YL)CYCLOPROPANECARBOXAMIDE HTR1A, HTR1D, HTR1B RGS12 2696/4885APOBEC3A 1130/4885APOBEC3G 1230/4885
US-20130158071-A1 PHARMACEUTICAL COMPOSITIONS AND ADMINISTRATIONS THEREOF CFTR, ABCB11, ABCC5 RGS12 1943/4885APOBEC3A 4382/4885APOBEC3G 4025/4885
US-11578062-B2 Solid forms of (R)-1(2,2-difluorobenzo[d][1,3]dioxol-5-yl)-N-(1-(2,3-dihydroxypropyl)-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HTR1A, HTR1D RGS12 3236/4885APOBEC3A 2347/4885APOBEC3G 2940/4885
US-20130131107-A1 PHARMACEUTICAL COMPOSITIONS AND ADMINISTRATIONS THEREOF CFTR, ABCB11, SLC26A4 RGS12 2136/4885APOBEC3A 4280/4885APOBEC3G 3773/4885
US-20130143919-A1 PHARMACEUTICAL COMPOSITIONS AND ADMINISTRATIONS THEREOF CFTR, ABCB11, ABCC5 RGS12 1943/4885APOBEC3A 4382/4885APOBEC3G 4025/4885
US-11951212-B2 Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases CFTR, SLC26A4, PKD1 RGS12 135/4885APOBEC3A 4787/4885APOBEC3G 4680/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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