SCHEMBL3579484

SCHEMBL3579484

Cc1nc(NC(=O)COc2ccccc2)sc1C(=O)O

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.84
ALDH1A1 P00352 6/20 0.84
RAB9A P51151 5/20 0.84
SMN1; SMN2 Q16637 3/20 0.84
KDM4E B2RXH2 3/20 0.84
RXFP1 Q9HBX9 2/20 0.84
NPC1 O15118 2/20 0.82
TSHR P16473 2/20 0.82
MEN1 O00255 4/20 0.78
KMT2A Q03164 4/20 0.78
POLB P06746 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
TP53 P04637 1/20 0.63
PDE5A O76074 1/20 0.62
PDE1A P54750 1/20 0.62
PDE1B Q01064 1/20 0.62
PDE1C Q14123 1/20 0.62
MAPK1 P28482 1/20 0.61
THRB P10828 1/20 0.61
LMNA P02545 1/20 0.60

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
SCHEMBL4188209 0.88 MAPT (0.70) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL3584529 0.88 ALDH1A1 (1.00) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL4188817 0.87 RXFP1 (0.66) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL3591255 0.85 ALDH1A1 (0.78) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL3584748 0.85 ALDH1A1 (0.74) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL4191511 0.85 MAPT (0.69) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL3582480 0.83 MAPT (0.69) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL15634098 0.82 CSNK1D (0.79) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL12992205 0.80 MAPT (0.65) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL16481385 0.79 ALDH1A1 (0.56) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541457-B2 Aminothiazole derivatives as human stearoyl-CoA desaturase inhibitors XENON PHARMACEUTICALS INC. (CA) 2013-09-24 US claimed
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2013-04-18 US claimed
EP-2540296-A1 Arminothiazole derivatives as human stearoyl-coa desaturase inhibitors Xenon Pharmaceuticals Inc. (CA) 2013-01-02 EP claimed
US-20100152187-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2010-06-17 US claimed
EP-2029138-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2009-03-04 EP claimed
WO-2007130075-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2007-11-15 WO claimed
US-8541457-B2 Aminothiazole derivatives as human stearoyl-CoA desaturase inhibitors XENON PHARMACEUTICALS INC. (CA) 2013-09-24 US disclosed
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2013-04-18 US disclosed
EP-2540296-A1 Arminothiazole derivatives as human stearoyl-coa desaturase inhibitors Xenon Pharmaceuticals Inc. (CA) 2013-01-02 EP disclosed
US-20100152187-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2010-06-17 US disclosed
EP-2029138-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2009-03-04 EP disclosed
WO-2007130075-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2007-11-15 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 (2 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-20100152187-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 MAPT 1788/4885ALDH1A1 927/4885RAB9A 2428/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 MAPT 1782/4885ALDH1A1 910/4885RAB9A 2466/4885

“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.