SCHEMBL377171

SCHEMBL377171

COC(=O)Oc1ccc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.48
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 3/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP2C19 P33261 2/20 0.41
JAK2 O60674 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK14 Q16539 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39

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
SCHEMBL29798808 1.00 APEX1 (0.48) APEX1HTTMEN1KMT2AMAPT
SCHEMBL5947663 0.94 APEX1 (0.47) APEX1HTTMEN1KMT2AMAPT
SCHEMBL27752722 0.91 APEX1 (0.51) APEX1HTTMEN1KMT2AMAPT
SCHEMBL22408775 0.91 APEX1 (0.42) APEX1HTTMEN1KMT2AMAPT
SCHEMBL18707666 0.86 KMT2A (0.39) APEX1HTTMEN1KMT2AMAPT
SCHEMBL21029563 0.86 SMN1; SMN2 (0.50) APEX1HTTMEN1KMT2AMAPT
SCHEMBL27262693 0.86 SMN1; SMN2 (0.50) APEX1HTTMEN1KMT2AMAPT
SCHEMBL18714066 0.85 HTT (0.38) APEX1HTTMEN1KMT2AMAPT
SCHEMBL376873 0.85 HTT (0.38) APEX1HTTMEN1KMT2AMAPT
SCHEMBL784634 0.85 MEN1 (0.43) APEX1HTTMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107501099-B Modulators of ATP-binding cassette transporters 沃泰克斯药物股份有限公司 2021-03-19 CN claimed
EP-3216787-B1 INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-02-19 EP claimed
EP-3216787-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-09-13 EP claimed
US-9090619-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-07-28 US claimed
EP-2502902-A2 Modulators of ATP-binding cassette transporters Vertex Pharmaceuticals Incorporated (US) 2012-09-26 EP claimed
EP-2502913-A2 Modulators of ATP-binding cassette transporters Vertex Pharmaceuticals Incorporated (US) 2012-09-26 EP claimed
US-20260108506-A1 METHODS OF TREATMENT FOR CYSTIC FIBROSIS VERTEX PHARMACEUTICALS INCORPORATED 2026-04-23 US disclosed
US-20260092047-A1 MODULATOR OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR VERTEX PHARMA (US) 2026-04-02 US disclosed
EP-4218754-B1 VANZACAFTOR FOR USE IN THE TREATMENT OF CYSTIC FIBROSIS VERTEX PHARMA (US) 2026-03-25 EP disclosed
US-20260034064-A1 COMPOSITIONS FOR THE TREATMENT OF CFTR-MEDIATED DISEASES VERTEX PHARMA (US) 2026-02-05 US disclosed
EP-3634402-B1 METHODS OF TREATMENT FOR CYSTIC FIBROSIS VERTEX PHARMA (US) 2026-01-21 EP disclosed
EP-3697774-B1 CRYSTALLINE FORMS AND COMPOSITIONS OF CFTR MODULATORS VERTEX PHARMA (US) 2025-09-24 EP disclosed
US-12384762-B2 Modulator of the Cystic Fibrosis Transmembrane Conductance Regulator, pharmaceutical compositions, methods of treatment, and process for making the modulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-08-12 US disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
WO-2007079139-A9 SOLID FORMS OF N-[2,4-BIS(1,1-DIMETHYLETHYL)-5-HYDROXYPHENYL]-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXAMIDE VERTEX PHARMA (US) 2007-11-29 WO disclosed
WO-2007079139-A2 SOLID FORMS OF N-[2,4-BIS(1,1-DIMETHYLETHYL)-5-HYDROXYPHENYL]-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXAMIDE VERTEX PHARMACEUTICALS, INC. (US) 2007-07-12 WO disclosed
WO-2007075946-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 WO disclosed
EP-1773816-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2007-04-18 EP disclosed
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 US disclosed
WO-2006002421-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-01-05 WO 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 (6 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-20260108506-A1 METHODS OF TREATMENT FOR CYSTIC FIBROSIS CFTR, CLCN2, SCNN1B APEX1 4835/4885HTT 4288/4885MEN1 4187/4885
US-12384762-B2 Modulator of the Cystic Fibrosis Transmembrane Conductance Regulator, pharmaceutical compositions, methods of treatment, and process for making the modulator CFTR, SLC26A4, TMEM109 APEX1 4616/4885HTT 4597/4885MEN1 3338/4885
US-20260092047-A1 MODULATOR OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR CFTR, SLC26A3, SLC26A4 APEX1 4089/4885HTT 4238/4885MEN1 3673/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 APEX1 2770/4885HTT 3305/4885MEN1 4778/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 APEX1 3657/4885HTT 3118/4885MEN1 4791/4885
US-20260034064-A1 COMPOSITIONS FOR THE TREATMENT OF CFTR-MEDIATED DISEASES CFTR, ABCC2, ABCC8 APEX1 4877/4885HTT 210/4885MEN1 2277/4885

“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.