SCHEMBL526375

SCHEMBL526375

Nc1ccc(-c2cnccc2-c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 4/20 0.55
CYP3A4 P08684 4/20 0.52
HSD17B10 Q99714 2/20 0.52
TAAR1 Q96RJ0 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
PRKCZ Q05513 2/20 0.51
CYP1A2 P05177 3/20 0.49
CYP2E1 P05181 3/20 0.49
CYP2C8 P10632 3/20 0.49
CYP2D6 P10635 3/20 0.49
CYP2A6 P11509 3/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2B6 P20813 3/20 0.49
CYP2C19 P33261 3/20 0.49
CYP46A1 Q9Y6A2 1/20 0.49
SLC22A12 Q96S37 1/20 0.47
TNF P01375 1/20 0.44
MEN1 O00255 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 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
SCHEMBL8716812 0.88 RPS6KA3 (0.65) RPS6KA3CYP3A4PRKCZCYP1A2CYP2E1
SCHEMBL21692148 0.83 RPS6KA3 (0.59) RPS6KA3CYP3A4PRKCZCYP1A2CYP2E1
SCHEMBL21692174 0.83 RPS6KA3 (0.59) RPS6KA3CYP3A4PRKCZCYP1A2CYP2E1
SCHEMBL18449559 0.83 RPS6KA3 (0.53) RPS6KA3PRKCZSLC22A12TDO2ALDH1A1
SCHEMBL18447769 0.83 RPS6KA3 (0.53) RPS6KA3PRKCZSLC22A12TDO2ALDH1A1
SCHEMBL28114956 0.80 RPS6KA3 (0.62) RPS6KA3CYP3A4HSD17B10CYP1A2CYP2E1
SCHEMBL12854064 0.79 RPS6KA3 (0.56) RPS6KA3CYP3A4PRKCZCYP1A2CYP2E1
SCHEMBL12854062 0.79 RPS6KA3 (0.56) RPS6KA3CYP3A4PRKCZCYP1A2CYP2E1
SCHEMBL9217300 0.79 HSD17B10 (0.74) CYP3A4HSD17B10TAAR1TDP1PRKCZ
SCHEMBL10273187 0.79 CYP17A1 (0.59) RPS6KA3CYP3A4PRKCZCYP1A2CYP2E1

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 11 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
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 RPS6KA3 1166/4885CYP3A4 27/4885HSD17B10 79/4885

“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.