SCHEMBL3580474

SCHEMBL3580474

Cc1nc(NC(=O)c2ccc(OC(F)(F)F)cc2)sc1C(=O)NCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.62
PPARA Q07869 7/20 0.60
PPARD Q03181 4/20 0.60
ALDH1A1 P00352 4/20 0.59
LMNA P02545 2/20 0.59
NPC1 O15118 5/20 0.54
RXFP1 Q9HBX9 4/20 0.54
NPSR1 Q6W5P4 2/20 0.54
MAPK14 Q16539 1/20 0.54
PPARG P37231 2/20 0.54
KDM4E B2RXH2 3/20 0.53
RAB9A P51151 2/20 0.53
EPHX2 P34913 1/20 0.53
NR1H4 Q96RI1 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
LCK P06239 1/20 0.52
CTNNB1 P35222 1/20 0.51
TCF7L2 Q9NQB0 1/20 0.51
HSP90AA1 P07900 1/20 0.50

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
SCHEMBL3576834 0.91 SCD (0.58) SCDPPARAPPARDALDH1A1LMNA
SCHEMBL3582967 0.90 SCD (0.67) SCDPPARAALDH1A1LMNANPC1
SCHEMBL3583881 0.89 SCD (0.66) SCDPPARAPPARDALDH1A1LMNA
SCHEMBL3583154 0.87 SCD (0.76) SCDALDH1A1LMNANPC1NPSR1
SCHEMBL13317411 0.87 SCD (0.64) SCDPPARAPPARDALDH1A1LMNA
SCHEMBL3574958 0.86 SCD (0.69) SCDPPARAALDH1A1LMNANPC1
SCHEMBL3589788 0.86 SCD (0.71) SCDALDH1A1LMNANPC1RXFP1
SCHEMBL3583599 0.85 SCD (0.70) SCDALDH1A1LMNANPC1RXFP1
SCHEMBL3588472 0.85 SCD (0.61) SCDPPARAPPARDALDH1A1LMNA
SCHEMBL14479265 0.84 SCD (0.69) SCDPPARAALDH1A1LMNANPC1

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 13 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
US-8541457-B2 Aminothiazole derivatives as human stearoyl-CoA desaturase inhibitors XENON PHARMACEUTICALS INC. (CA) 2013-09-24 US disclosed
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
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
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 SCD 1/4885PPARA 178/4885PPARD 173/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 SCD 1/4885PPARA 177/4885PPARD 172/4885

“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.