SCHEMBL10272839

SCHEMBL10272839

CC(C)(C)OC(=O)Nc1ccc(-c2cncc3ccccc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 2/20 0.57
▸ ROCK2 O75116 1/20 0.57
▸ CYP17A1 P05093 2/20 0.50
▸ PRKCZ Q05513 1/20 0.48
▸ MMP9 P14780 1/20 0.48
▸ PIK3CG P48736 1/20 0.46
▸ PSMB8 P28062 1/20 0.46
▸ MAP4K4 O95819 1/20 0.45
▸ BCL2 P10415 1/20 0.45
▸ CYP11B1 P15538 2/20 0.44
▸ CYP11B2 P19099 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2B6 P20813 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ WNT1 P04628 1/20 0.43
▸ DYRK1A Q13627 1/20 0.43
▸ CCNC P24863 6/20 0.43

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
SCHEMBL13459598 0.86 CYP17A1 (0.54) NAMPTROCK2CYP17A1PSMB8MAP4K4
SCHEMBL6812003 0.83 NAMPT (0.54) NAMPTCYP17A1BCL2CYP1A2CYP3A4
SCHEMBL15139200 0.82 CYP17A1 (0.52) NAMPTCYP17A1PSMB8MAP4K4BCL2
SCHEMBL15733104 0.80 ROCK2 (0.65) NAMPTROCK2PRKCZMMP9PIK3CG
SCHEMBL18570243 0.75 CYP17A1 (0.61) NAMPTCYP17A1PSMB8MAP4K4BCL2
SCHEMBL19265408 0.75 CA12 (0.47) NAMPTCYP17A1PSMB8MAP4K4BCL2
SCHEMBL20865536 0.75 CYP17A1 (0.68) NAMPTCYP17A1PSMB8MAP4K4BRD4
SCHEMBL17981052 0.74 NPC1 (0.42) NAMPTCYP17A1PSMB8BRD4
SCHEMBL30230966 0.74 CYP17A1 (0.60) NAMPTCYP17A1PSMB8MAP4K4BCL2
SCHEMBL29096751 0.74 CYP17A1 (0.60) NAMPTCYP17A1PSMB8MAP4K4BCL2

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 6 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 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
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 NAMPT 771/4885ROCK2 3111/4885CYP17A1 28/4885

“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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