SCHEMBL3006619

SCHEMBL3006619

CC(=O)c1ccc(-c2cccc(CS(=O)(=O)NC(=O)CCCc3ccccc3)c2)s1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 5/20 0.44
▸ ACKR3 P25106 5/20 0.42
▸ HPGDS O60760 1/20 0.41
▸ HDAC1 Q13547 2/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B2 P37059 2/20 0.39
▸ HSD17B1 P14061 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC5 Q9UQL6 1/20 0.39
▸ LTB4R Q15722 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
SCHEMBL3014544 0.84 CYP3A4 (0.45) HPGDSHDAC1NPC1RAB9AKDM4E
SCHEMBL3007068 0.76 CYP3A4 (0.48) HPGDSKDM4EALDH1A1HSD17B2HSD17B1
SCHEMBL13099464 0.71 CYP3A4 (0.54) HPGDSNPC1RAB9AHDAC6KDM4E
SCHEMBL3097763 0.71 RAB9A (0.67) HPGDSHDAC1NPC1RAB9AHDAC6
SCHEMBL13227422 0.70 CYP3A4 (0.52) HPGDSNPC1RAB9AHDAC6POLB
SCHEMBL12996943 0.70 RXFP1 (0.47) ACKR3HPGDSNPC1RAB9AHDAC6
SCHEMBL15177332 0.68 RAB9A (0.73) HPGDSHDAC1NPC1RAB9AHDAC6
SCHEMBL3007570 0.67 HSD17B1 (0.49) HPGDSHDAC1NPC1RAB9AKDM4E
SCHEMBL30175838 0.67 RARB (0.50) HDAC6POLBKDM4EALDH1A1HPGD
SCHEMBL3471160 0.66 HSD17B1 (0.60) HPGDSNPC1RAB9AHDAC6POLB

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 TRPV1 3217/4885ACKR3 4025/4885HPGDS 1743/4885

“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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