SCHEMBL10272836

SCHEMBL10272836

COc1cc(N)ccc1-c1cnccc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.55
IMPDH1 P20839 1/20 0.55
CYP1A2 P05177 3/20 0.44
CYP2D6 P10635 3/20 0.44
CYP2C19 P33261 3/20 0.44
CYP2E1 P05181 2/20 0.44
CYP2A6 P11509 2/20 0.44
CYP2B6 P20813 2/20 0.44
CYP2C8 P10632 1/20 0.44
CYP17A1 P05093 3/20 0.44
GAA P10253 3/20 0.43
MAPK1 P28482 2/20 0.43
HTT P42858 2/20 0.43
MAPT P10636 2/20 0.43
TSHR P16473 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
NTRK1 P04629 1/20 0.42

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
SCHEMBL30522600 0.88 IMPDH2 (0.56) IMPDH2IMPDH1CYP1A2CYP17A1GAA
SCHEMBL25300597 0.88 IMPDH2 (0.56) IMPDH2IMPDH1CYP1A2CYP17A1GAA
SCHEMBL527200 0.87 IMPDH2 (0.46) IMPDH2IMPDH1CYP1A2CYP2D6CYP2C19
SCHEMBL10272835 0.87 CYP17A1 (0.58) IMPDH2IMPDH1CYP1A2CYP2D6CYP2C19
SCHEMBL30839714 0.82 MAPT (0.59) IMPDH2IMPDH1GAAMAPK1HTT
SCHEMBL347390 0.82 MAPT (0.59) IMPDH2IMPDH1GAAMAPK1HTT
Hydrochloric Acid SCHEMBL10604756 0.80 MAPT (0.57) IMPDH2IMPDH1GAAMAPK1HTT
SCHEMBL15741689 0.79 IMPDH2 (0.54) IMPDH2IMPDH1GAAMAPK1HTT
SCHEMBL30839803 0.78 MAPT (0.52) IMPDH2IMPDH1GAAMAPK1HTT
SCHEMBL27185970 0.78 MAPT (0.52) IMPDH2IMPDH1GAAMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598481-B1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-08-31 EP disclosed
EP-2598481-B1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-08-31 EP disclosed
US-8916553-B2 Sulfonamide compounds useful as CYP17 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-23 US disclosed
US-8916553-B2 Sulfonamide compounds useful as CYP17 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-23 US disclosed
US-8916553-B2 Sulfonamide compounds useful as CYP17 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-23 US disclosed
US-20140148453-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-05-29 US disclosed
US-20140148453-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-05-29 US disclosed
US-20140148453-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-05-29 US disclosed
WO-2012015723-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-02 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 (1 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-20140148453-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS SULT1A1, SULT2A1, SULT1E1 IMPDH2 1146/4885IMPDH1 880/4885CYP1A2 14/4885

“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.