SCHEMBL526660

SCHEMBL526660

COc1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1-c1cncc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 13/20 1.00
▸ MEN1 O00255 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ TP53 P04637 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ ALDH1A1 P00352 2/20 0.56
▸ POLB P06746 1/20 0.56
▸ GHSR Q92847 1/20 0.53
▸ TSHR P16473 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL526581 0.89 CYP17A1 (1.00) CYP17A1GHSR
SCHEMBL526536 0.85 CYP17A1 (1.00) CYP17A1MEN1KMT2ATP53HTT
SCHEMBL526675 0.84 CYP17A1 (0.83) CYP17A1MEN1KMT2A
SCHEMBL526576 0.84 CYP17A1 (1.00) CYP17A1
SCHEMBL526749 0.83 CYP17A1 (1.00) CYP17A1
SCHEMBL527115 0.82 CYP17A1 (1.00) CYP17A1
SCHEMBL526448 0.79 CYP17A1 (0.85) CYP17A1MEN1KMT2AHTTMAPT
SCHEMBL527205 0.79 CYP17A1 (1.00) CYP17A1
SCHEMBL526197 0.79 CYP17A1 (1.00) CYP17A1
SCHEMBL527151 0.79 CYP17A1 (0.84) CYP17A1TP53MAPT

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 18 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
CN-103209960-A Sulfonamide compounds useful as CYP17 inhibitors BRISTOL MYERS SQUIBB CO 2013-07-17 — — CN 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
CN-103209960-A Sulfonamide compounds useful as CYP17 inhibitors BRISTOL MYERS SQUIBB CO 2013-07-17 — — CN 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 28/4885MEN1 3843/4885KMT2A 1896/4885

“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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