SCHEMBL526867

SCHEMBL526867

Cc1ccncc1-c1ccc(NS(=O)(=O)Nc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 9/20 0.53
PTGS2 P35354 3/20 0.46
PTGES2 Q9H7Z7 1/20 0.46
DHODH Q02127 1/20 0.45
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC22A12 Q96S37 1/20 0.41
CYP1A2 P05177 3/20 0.41
GRIA2 P42262 1/20 0.41
POLB P06746 1/20 0.41
ABL1 P00519 1/20 0.41
ADRB3 P13945 1/20 0.40

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
SCHEMBL526850 0.85 CYP11B1 (0.56) CYP17A1PTGS2ALDH1A1PTGS1SLC22A12
SCHEMBL526361 0.84 UQCRB (0.58) CYP17A1PTGS2PTGES2ALDH1A1SLC22A12
SCHEMBL527069 0.84 CYP17A1 (0.61) CYP17A1PTGS2PTGS1SLC22A12GRIA2
SCHEMBL527056 0.83 PTGES2 (0.52) CYP17A1PTGES2ALDH1A1TP53TDP1
SCHEMBL526712 0.82 ALDH1A1 (0.63) CYP17A1PTGES2ALDH1A1TP53TDP1
SCHEMBL526777 0.81 HPGD (0.54) CYP17A1PTGS2ALDH1A1PTGS1
SCHEMBL526525 0.81 KMT2A (0.53) CYP17A1PTGES2DHODHALDH1A1TDP1
SCHEMBL526656 0.81 CYP17A1 (0.51) CYP17A1PTGS2PTGES2DHODHALDH1A1
SCHEMBL526526 0.81 KMT2A (0.53) CYP17A1PTGES2DHODHALDH1A1TDP1
SCHEMBL526309 0.80 PTGES2 (0.63) CYP17A1PTGES2ALDH1A1SLC22A12POLB

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 14 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 claimed
US-8916553-B2 Sulfonamide compounds useful as CYP17 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-23 US claimed
US-20140148453-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-05-29 US claimed
EP-2598481-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS Bristol-Myers Squibb Company (US) 2013-06-05 EP claimed
WO-2012015723-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-02 WO claimed
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 28/4885PTGS2 401/4885PTGES2 509/4885

“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.