SCHEMBL527037

SCHEMBL527037

COC(=O)c1cc(N)ccc1-c1cnccc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.52
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
GLA P06280 2/20 0.52
CYP46A1 Q9Y6A2 1/20 0.50
CYP17A1 P05093 1/20 0.43
SIRT3 Q9NTG7 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CFTR P13569 1/20 0.41
SLC2A1 P11166 1/20 0.41
LCK P06239 1/20 0.40
BTK Q06187 1/20 0.40
MAP4K1 Q92918 5/20 0.39
IL2 P60568 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
HTT P42858 1/20 0.39
CASP7 P55210 1/20 0.39
NCOA1 Q15788 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL9705197 0.82 GAA (0.65) GAAALDH1A1KDM4EGLACYP46A1
SCHEMBL10272847 0.81 CYP17A1 (0.41) GAAALDH1A1KDM4EGLACYP17A1
SCHEMBL527341 0.80 CYP46A1 (0.46) GAAALDH1A1KDM4EGLACYP46A1
SCHEMBL526764 0.79 CYP17A1 (0.69) CYP46A1CYP17A1
SCHEMBL5687575 0.76 TSHR (0.50) CYP17A1SIRT3TDP1LCKBTK
SCHEMBL7261835 0.76 ALDH1A1 (0.49) GAAALDH1A1KDM4EGLACYP46A1
SCHEMBL527609 0.76 ABL1 (0.45) ALDH1A1KDM4ECYP17A1SIRT3TDP1
SCHEMBL10272835 0.76 CYP17A1 (0.58) GAAALDH1A1CYP17A1HTTCYP11B2
SCHEMBL1321845 0.74 GAA (0.62) GAAALDH1A1KDM4EGLACFTR
SCHEMBL1440123 0.74 SIRT3 (0.61) GAAALDH1A1KDM4EGLACYP46A1

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 10 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

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 GAA 1868/4885ALDH1A1 126/4885KDM4E 2413/4885

“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.