SCHEMBL527166

SCHEMBL527166

Cc1ccncc1-c1ccc(NS(=O)(=O)c2ccsc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.44
PTGES2 Q9H7Z7 1/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
PSEN1 P49768 2/20 0.43
PSEN2 P49810 2/20 0.43
APH1B Q8WW43 2/20 0.43
NCSTN Q92542 2/20 0.43
APH1A Q96BI3 2/20 0.43
PSENEN Q9NZ42 2/20 0.43
PRF1 P14222 1/20 0.42
EDNRA P25101 1/20 0.42
POLB P06746 1/20 0.41
CYP17A1 P05093 3/20 0.40
MAPT P10636 1/20 0.39
CCR4 P51679 1/20 0.39
USP2 O75604 1/20 0.39
USP8 P40818 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL526533 0.86 CYP17A1 (0.51) PTGS2PTGES2PRF1EDNRACYP17A1
SCHEMBL527101 0.82 POLB (0.61) PTGS2POLBMAPTMEN1KMT2A
SCHEMBL527204 0.81 KEAP1 (0.57) PTGES2POLBCYP17A1MEN1KMT2A
SCHEMBL526361 0.80 UQCRB (0.58) PTGS2PTGES2POLBCYP17A1MAPT
SCHEMBL527015 0.80 CYP1A2 (0.55) PTGS2PTGES2CYP3A4CYP2D6POLB
SCHEMBL526758 0.80 ALDH1A1 (0.61) PTGS2CYP3A4CYP2D6PSEN1PSEN2
SCHEMBL527026 0.80 SLC22A12 (0.56) PTGS2CYP3A4POLBMAPTMEN1
SCHEMBL527424 0.79 CYP3A4 (0.67) PTGS2PTGES2CYP3A4CYP2D6PSEN1
SCHEMBL527093 0.78 KDM4E (0.59) CYP3A4CYP2D6POLBMEN1KMT2A
SCHEMBL527158 0.78 KEAP1 (0.64) CYP17A1MAPTUSP2USP8CYP11B1

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 16 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-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 PTGS2 401/4885PTGES2 509/4885CYP3A4 27/4885

“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.