SCHEMBL3410201

SCHEMBL3410201

CC(C)(C)N(C(=O)O)c1nc2ccc(S)cc2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
PPARA Q07869 3/20 0.38
TMPRSS15 P98073 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
DYRK1A Q13627 6/20 0.36
LDHA P00338 1/20 0.36
PIK3CG P48736 1/20 0.36
MAP3K5 Q99683 1/20 0.36
CYP1A2 P05177 1/20 0.35

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
SCHEMBL2482877 0.84 HTT (0.61) HTTHSD17B1HSD17B2DYRK1ACYP1A2
SCHEMBL20595677 0.83 PPARA (0.55) HTTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL15280046 0.83 NPC1 (0.49) HTTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL3405702 0.77 HTT (0.37) HTTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2485036 0.75 CACNA1B (0.50) HTTNPC1RAB9ALMNAPPARA
SCHEMBL2099021 0.75 PPARA (0.43) NPC1RAB9ASMN1; SMN2PPARAALDH1A1
SCHEMBL22363215 0.74 ABL1 (0.59)
SCHEMBL25303578 0.72 NPC1 (0.38) HTTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL25300412 0.71 IRAK4 (0.39) HTTSMN1; SMN2LMNATP53HSD17B1
SCHEMBL25299532 0.71 TAS2R14 (0.43) NPC1LMNATP53PPARADYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546393-B2 6-triazolopyridazine sulfanyl benzothiazole derivatives as MET inhibitors SANOFI (FR) 2013-10-01 US disclosed
US-20100298315-A1 NOVEL 6-TRIAZOLOPYRIDAZINESULFANYL BENZOTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES, METHOD FOR PRODUCTION THEREOF AND APPLICATION AS MEDICAMENTS AND PHARMNACEUTICAL COMPOSITIONS AND NOVEL USE AS MET INHIBITORS SANOFI-AVENTIS (FR) 2010-11-25 US 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-20100298315-A1 NOVEL 6-TRIAZOLOPYRIDAZINESULFANYL BENZOTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES, METHOD FOR PRODUCTION THEREOF AND APPLICATION AS MEDICAMENTS AND PHARMNACEUTICAL COMPOSITIONS AND NOVEL USE AS MET INHIBITORS BMX, MET, TPMT HTT 4513/4885NPC1 4613/4885RAB9A 2280/4885

“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.