SCHEMBL3007570

SCHEMBL3007570

CC(=O)NS(=O)(=O)c1cccc(-c2ccc(C(C)=O)s2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 10/20 0.49
▸ HSD17B2 P37059 10/20 0.49
▸ HSD11B1 P28845 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2A6 P11509 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.44
▸ NQO2 P16083 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ HPGDS O60760 1/20 0.43
▸ HDAC1 Q13547 1/20 0.42

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 0.83 HSD17B1 (0.60) HSD17B1HSD17B2HSD11B1CYP3A4CYP2A6
SCHEMBL3007092 0.82 HSD17B1 (0.60) HSD17B1HSD17B2HSD11B1CYP3A4CYP2A6
SCHEMBL4880106 0.79 MAPT (0.54) HSD17B1HSD17B2ALDH1A1HPGD
SCHEMBL3014544 0.79 CYP3A4 (0.45) HSD17B1HSD17B2HSD11B1CYP3A4CYP2A6
SCHEMBL11930739 0.77 LARS1 (0.60) PKM
SCHEMBL9997049 0.77 PFKFB3 (0.58) HSD17B1HSD17B2
SCHEMBL3013296 0.76 BCL2L1 (0.56) NPSR1ALDH1A1KDM4ENPC1HPGD
SCHEMBL3013294 0.76 BCL2L1 (0.56) NPSR1ALDH1A1KDM4ENPC1HPGD
SCHEMBL15056014 0.75 HSD17B1 (0.53) HSD17B1HSD17B2
SCHEMBL3097763 0.75 RAB9A (0.67) HSD11B1CYP3A4CYP2A6CYP2C9CYP2C19

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 4275/4885HSD11B1 4491/4885

“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.

Send feedback