SCHEMBL3007092

SCHEMBL3007092

CC(=O)c1ccc(-c2cccc(S(N)(=O)=O)c2)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 6/20 0.60
▸ HSD17B2 P37059 6/20 0.60
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2A6 P11509 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ PRF1 P14222 1/20 0.49
▸ HSD11B1 P28845 1/20 0.48
▸ HPGDS O60760 1/20 0.46
▸ FYN P06241 1/20 0.45
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ EPHX2 P34913 1/20 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
SCHEMBL3471160 0.87 HSD17B1 (0.60) HSD17B1HSD17B2CYP3A4CYP2A6CYP2C9
SCHEMBL3007570 0.82 HSD17B1 (0.49) HSD17B1HSD17B2CYP3A4CYP2A6CYP2C9
SCHEMBL3007068 0.80 CYP3A4 (0.48) HSD17B1HSD17B2CYP3A4CYP2A6CYP2C9
SCHEMBL3097763 0.78 RAB9A (0.67) CYP3A4CYP2A6CYP2C9CYP2C19HSD11B1
SCHEMBL13680649 0.77 HSD17B1 (0.63) HSD17B1HSD17B2CYP3A4CYP2A6CYP2C9
SCHEMBL18186441 0.76 HSD17B1 (1.00) HSD17B1HSD17B2
SCHEMBL9997049 0.75 PFKFB3 (0.58) HSD17B1HSD17B2
SCHEMBL15177332 0.75 RAB9A (0.73) CYP3A4CYP2A6CYP2C9CYP2C19HSD11B1
SCHEMBL4880106 0.75 MAPT (0.54) HSD17B1HSD17B2FYNALDH1A1LMNA
SCHEMBL2560736 0.75 HDAC6 (0.69) HSD17B1HSD17B2CYP3A4CYP2A6CYP2C9

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101842362-A Benzothiazole compounds INST MEDICAL W & E HALL 2010-09-22 — — CN 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
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 HSD17B1 4083/4885HSD17B2 4275/4885CYP3A4 4607/4885

“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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