SCHEMBL526798

SCHEMBL526798

CS(=O)(=O)Nc1ccc(Br)c(OCCF)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 10/20 0.56
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ADRA2C P18825 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
PDE6D O43924 1/20 0.40
PDE5A O76074 1/20 0.40
PDE6A P16499 1/20 0.40
PDE6G P18545 1/20 0.40
PDE6B P35913 1/20 0.40
PDE6C P51160 1/20 0.40
PDE6H Q13956 1/20 0.40
KIT P10721 1/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 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
SCHEMBL526859 0.79 CYP17A1 (0.55) CYP17A1RAB9AADRA2CHPGDSMN1; SMN2
SCHEMBL30602443 0.79 CYP17A1 (0.55) CYP17A1RAB9AADRA2CHPGDSMN1; SMN2
SCHEMBL25929812 0.78 AR (0.62) NPC1RAB9AHPGDSMN1; SMN2AR
SCHEMBL15733029 0.77 KIF11 (0.54) CYP17A1ALDH1A1CA12CA1CA2
SCHEMBL27700414 0.75 ADRA2C (0.55) CYP17A1NPC1RAB9AADRA2CADRA1A
SCHEMBL528320 0.75 CYP17A1 (0.48) CYP17A1NPC1RAB9AADRA2CADRA1A
SCHEMBL15746930 0.74 ALDH1A1 (0.44) ADRA2CADRA1AADRA1BHPGDSMN1; SMN2
SCHEMBL527595 0.73 CYP17A1 (0.78) CYP17A1
SCHEMBL526698 0.72 CYP17A1 (0.77) CYP17A1
SCHEMBL527085 0.72 CYP17A1 (1.00) CYP17A1

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-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 28/4885NPC1 1597/4885RAB9A 3030/4885

“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.