SCHEMBL527108

SCHEMBL527108

Cc1ccncc1-c1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 2/20 0.53
▸ TSHR P16473 1/20 0.51
▸ PGR P06401 1/20 0.51
▸ PTPN2 P17706 1/20 0.50
▸ PTPN1 P18031 1/20 0.50
▸ PTPN5 P54829 1/20 0.50
▸ PTGES2 Q9H7Z7 1/20 0.49
▸ SGK1 O00141 1/20 0.48
▸ MAPT P10636 1/20 0.47
▸ RORA P35398 1/20 0.47
▸ RORC P51449 1/20 0.47
▸ NR1H2 P55055 1/20 0.47
▸ NR1H4 Q96RI1 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ HDAC1 Q13547 1/20 0.46
▸ EDNRB P24530 2/20 0.46
▸ EDNRA P25101 2/20 0.46
▸ HCRTR1 O43613 1/20 0.44

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
SCHEMBL526712 0.87 ALDH1A1 (0.63) CYP17A1PTPN2PTPN1PTPN5PTGES2
SCHEMBL527452 0.86 CYP17A1 (0.60) CYP17A1TSHRPGRPTPN2PTPN1
SCHEMBL527056 0.84 PTGES2 (0.52) CYP17A1PTGES2ALDH1A1TP53TDP1
SCHEMBL528302 0.83 LMNA (0.52) CYP17A1PGRPTPN2PTPN1PTPN5
SCHEMBL17737439 0.79 MEN1 (0.54) CYP17A1TSHRPGRPTPN2PTPN1
SCHEMBL526831 0.79 PKM (0.58) CYP17A1PGRPTPN2PTPN1PTPN5
SCHEMBL15733078 0.79 DHODH (0.47) CYP17A1PTPN2PTPN1PTPN5PTGES2
SCHEMBL526361 0.78 UQCRB (0.58) CYP17A1PTGES2MAPTALDH1A1
SCHEMBL526867 0.77 CYP17A1 (0.53) CYP17A1PTGES2ALDH1A1TP53TDP1
SCHEMBL526309 0.77 PTGES2 (0.63) CYP17A1PGRPTGES2MAPTALDH1A1

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 15 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
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 28/4885TSHR 1851/4885PGR 398/4885

“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.

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