SCHEMBL14998079

SCHEMBL14998079

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

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 3/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ SRD5A2 P31213 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HMGCR P04035 1/20 0.31
▸ PDE2A O00408 1/20 0.31
▸ SRD5A1 P18405 1/20 0.31
▸ LTB4R Q15722 1/20 0.30
▸ LTB4R2 Q9NPC1 1/20 0.30
▸ PLA2G4A P47712 1/20 0.30
▸ TACR1 P25103 1/20 0.30
▸ GPR35 Q9HC97 1/20 0.30

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
SCHEMBL14998078 0.93 GRM5 (0.33) GRM5NPC1SRD5A2KDM4EPDE2A
SCHEMBL349637 0.82 RGS12 (0.42) POLB
SCHEMBL349638 0.82 RGS12 (0.42) POLB
SCHEMBL28659324 0.79 SRD5A2 (0.32) SRD5A2KDM4EPOLBHMGCRPDE2A
SCHEMBL17920915 0.76 RGS12 (0.42) POLB
SCHEMBL16727678 0.76 RGS12 (0.43) POLB
SCHEMBL23630415 0.74 TMEM97 (0.36) KDM4E
SCHEMBL23630419 0.74 TMEM97 (0.36) KDM4E
SCHEMBL28667045 0.74 RGS12 (0.44) POLB
SCHEMBL28667047 0.74 RGS12 (0.44) POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170266176-A1 Pharmaceutical Compositions 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) cyclopropanecarbox-amide and Administration Thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-09-21 — — US disclosed
US-20170266176-A1 Pharmaceutical Compositions 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) cyclopropanecarbox-amide and Administration Thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-09-21 — — US disclosed
US-20130143918-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) 2013-06-06 — — 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 (2 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-20170266176-A1 Pharmaceutical Compositions 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) cyclopropanecarbox-amide and Administration Thereof CFTR, IDUA, GLI2 GRM5 1730/4885NPC1 306/4885SRD5A2 933/4885
US-20130143918-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 GRM5 1943/4885NPC1 87/4885SRD5A2 188/4885

“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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