SCHEMBL527446

SCHEMBL527446

COc1cc(N)ccc1-c1cncnc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 9/20 0.59
IMPDH2 P12268 1/20 0.51
IMPDH1 P20839 1/20 0.51
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
ALOX15 P16050 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 2/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
KIT P10721 1/20 0.39
EGFR P00533 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
SCHEMBL10272853 0.85 CYP17A1 (0.59) CYP17A1IMPDH2IMPDH1CYP1A2CYP3A4
SCHEMBL30839714 0.78 MAPT (0.59) IMPDH2IMPDH1CYP3A4HSD17B10LMNA
SCHEMBL347390 0.78 MAPT (0.59) IMPDH2IMPDH1CYP3A4HSD17B10LMNA
SCHEMBL10272836 0.76 IMPDH2 (0.55) CYP17A1IMPDH2IMPDH1CYP1A2CYP3A4
SCHEMBL527113 0.76 CYP17A1 (0.56) CYP17A1CYP1A2CYP3A4LMNACYP2C19
Hydrochloric Acid SCHEMBL10604756 0.76 MAPT (0.57) IMPDH2IMPDH1CYP3A4HSD17B10LMNA
SCHEMBL25300597 0.74 IMPDH2 (0.56) CYP17A1IMPDH2IMPDH1CYP1A2ALDH1A1
SCHEMBL30522600 0.74 IMPDH2 (0.56) CYP17A1IMPDH2IMPDH1CYP1A2ALDH1A1
SCHEMBL15746953 0.74 CYP17A1 (1.00) CYP17A1
SCHEMBL16370824 0.74 AAK1 (0.51) IMPDH2IMPDH1CYP1A2CYP3A4HSD17B10

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 11 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
EP-2598481-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS Bristol-Myers Squibb Company (US) 2013-06-05 EP disclosed
WO-2012015723-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-02 WO 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.