SCHEMBL526831

SCHEMBL526831

Cc1ccncc1-c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.58
▸ PKLR P30613 1/20 0.58
▸ ATM Q13315 1/20 0.57
▸ PLAU P00749 5/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ LMNA P02545 3/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ HTT P42858 2/20 0.53
▸ AKT1 P31749 1/20 0.53
▸ CYP17A1 P05093 1/20 0.53
▸ PGR P06401 1/20 0.52
▸ PTGES2 Q9H7Z7 1/20 0.52
▸ PTPN2 P17706 1/20 0.51
▸ PTPN1 P18031 1/20 0.51
▸ PTPN5 P54829 1/20 0.51
▸ PIK3CB P42338 1/20 0.49

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
SCHEMBL526838 0.87 PKM (0.64) PKMPKLRATMSMN1; SMN2LMNA
SCHEMBL526361 0.85 UQCRB (0.58) PKMPLAULMNAALDH1A1GAA
SCHEMBL526309 0.84 PTGES2 (0.63) PLAULMNAALDH1A1MEN1KMT2A
SCHEMBL526718 0.83 MEN1 (0.67) SMN1; SMN2LMNAALDH1A1GAAMEN1
SCHEMBL526687 0.83 FFAR1 (0.62) SMN1; SMN2LMNAALDH1A1HTTPGR
SCHEMBL527101 0.83 POLB (0.61) LMNAALDH1A1GAAMEN1KMT2A
SCHEMBL526438 0.82 PTGS2 (0.58) SMN1; SMN2LMNAALDH1A1GAAMEN1
SCHEMBL526602 0.82 CYP3A4 (0.58) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL526796 0.82 CYP11B1 (0.71) PLAULMNAALDH1A1GAAHTT
SCHEMBL527204 0.82 KEAP1 (0.57) ALDH1A1MEN1KMT2ACYP17A1PTGES2

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 PKM 3529/4885PKLR 3706/4885ATM 3375/4885

“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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