SCHEMBL10272835

SCHEMBL10272835

COc1cc(N)ccc1-c1cnccc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 5/20 0.58
IMPDH2 P12268 1/20 0.52
IMPDH1 P20839 1/20 0.52
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
GAA P10253 2/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
PDE2A O00408 5/20 0.41
PDE10A Q9Y233 5/20 0.41
CYP1A2 P05177 2/20 0.41
PDE5A O76074 1/20 0.41
PDE11A Q9HCR9 1/20 0.41
NR4A1 P22736 1/20 0.41
ABL1 P00519 1/20 0.40
PDE6D O43924 1/20 0.39
PDE6A P16499 1/20 0.39
PDE6G P18545 1/20 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
SCHEMBL10272836 0.87 IMPDH2 (0.55) CYP17A1IMPDH2IMPDH1CYP11B1CYP11B2
SCHEMBL25300597 0.85 IMPDH2 (0.56) CYP17A1IMPDH2IMPDH1CYP11B1CYP11B2
SCHEMBL30522600 0.85 IMPDH2 (0.56) CYP17A1IMPDH2IMPDH1CYP11B1CYP11B2
SCHEMBL526795 0.84 CYP11B1 (0.48) CYP17A1IMPDH2IMPDH1CYP11B1CYP11B2
SCHEMBL526484 0.84 KDM4E (0.45) CYP17A1IMPDH2IMPDH1CYP11B1CYP11B2
SCHEMBL527609 0.82 ABL1 (0.45) CYP17A1CYP11B1CYP11B2MAPTPDE10A
SCHEMBL527730 0.81 CYP17A1 (0.51) CYP17A1CYP11B1CYP11B2GAAPDE2A
SCHEMBL30522575 0.81 IMPDH2 (0.46) CYP17A1IMPDH2IMPDH1CYP11B1CYP11B2
SCHEMBL527200 0.81 IMPDH2 (0.46) CYP17A1IMPDH2IMPDH1CYP11B1CYP11B2
SCHEMBL527445 0.80 CYP17A1 (0.47) CYP17A1CYP11B1CYP11B2MAPTCYP1A2

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 CYP17A1 28/4885IMPDH2 1146/4885IMPDH1 880/4885

“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.