SCHEMBL3014544

SCHEMBL3014544

CC(=O)NS(=O)(=O)Cc1cccc(-c2ccc(C(C)=O)s2)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2A6 P11509 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HPGDS O60760 2/20 0.43
▸ HSD17B2 P37059 10/20 0.43
▸ HSD17B1 P14061 8/20 0.43
▸ CFD P00746 1/20 0.43
▸ HSD11B1 P28845 1/20 0.42
▸ NQO2 P16083 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HDAC1 Q13547 1/20 0.40
▸ EPHX2 P34913 1/20 0.39
▸ PGR P06401 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
SCHEMBL3006619 0.84 TRPV1 (0.44) HPGDSHSD17B2HSD17B1KDM4ENPC1
SCHEMBL3007068 0.84 CYP3A4 (0.48) CYP3A4CYP2A6CYP2C9CYP2C19HPGDS
SCHEMBL13099464 0.79 CYP3A4 (0.54) CYP3A4CYP2A6CYP2C9CYP2C19HPGDS
SCHEMBL3007570 0.79 HSD17B1 (0.49) CYP3A4CYP2A6CYP2C9CYP2C19HPGDS
SCHEMBL13227422 0.78 CYP3A4 (0.52) CYP3A4CYP2A6CYP2C9CYP2C19HPGDS
SCHEMBL3471160 0.72 HSD17B1 (0.60) CYP3A4CYP2A6CYP2C9CYP2C19HPGDS
SCHEMBL3097763 0.72 RAB9A (0.67) CYP3A4CYP2A6CYP2C9CYP2C19HPGDS
SCHEMBL13680649 0.71 HSD17B1 (0.63) CYP3A4CYP2A6CYP2C9CYP2C19HPGDS
SCHEMBL3007092 0.71 HSD17B1 (0.60) CYP3A4CYP2A6CYP2C9CYP2C19HPGDS
SCHEMBL5931096 0.70 CA1 (0.60) KDM4EALDH1A1HPGD

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
US-20100197711-A1 BENZOTHIAZOLE COMPOUNDS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2010-08-05 — — US disclosed
US-20100197711-A1 BENZOTHIAZOLE COMPOUNDS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2010-08-05 — — US disclosed
US-20100197711-A1 BENZOTHIAZOLE COMPOUNDS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2010-08-05 — — US disclosed
EP-2193127-A1 BENZOTHIAZOLE COMPOUNDS The Walter and Eliza Hall Institute of Medical Research (AU) 2010-06-09 — — EP disclosed
WO-2009039553-A1 BENZOTHIAZOLE COMPOUNDS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2009-04-02 — — WO disclosed
WO-2009039553-A1 BENZOTHIAZOLE COMPOUNDS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2009-04-02 — — 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-20100197711-A1 BENZOTHIAZOLE COMPOUNDS BAD, BCL2, BAX CYP3A4 4607/4885CYP2A6 4578/4885CYP2C9 4849/4885

“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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