SCHEMBL3584043

SCHEMBL3584043

Cc1nc(NC(=O)c2cccs2)sc1C(=O)O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.81
NPC1 O15118 11/20 0.72
HPGD P15428 5/20 0.72
SMN1; SMN2 Q16637 5/20 0.72
LCK P06239 1/20 0.65
KMT2A Q03164 4/20 0.62
PKM P14618 3/20 0.62
MEN1 O00255 3/20 0.62
NPSR1 Q6W5P4 3/20 0.62
LMNA P02545 2/20 0.62
ALDH1A1 P00352 3/20 0.60
TDP1 Q9NUW8 2/20 0.60
POLB P06746 1/20 0.60
KDM4E B2RXH2 4/20 0.57
TP53 P04637 3/20 0.57
HSD17B10 Q99714 3/20 0.57
NFKB1 P19838 2/20 0.57
NFKB2 Q00653 2/20 0.57
RELA Q04206 2/20 0.57
CASP3 P42574 1/20 0.56

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
SCHEMBL4196301 0.86 RAB9A (0.61) RAB9ANPC1HPGDSMN1; SMN2LCK
SCHEMBL289683 0.84 SMN1; SMN2 (1.00) RAB9ANPC1HPGDSMN1; SMN2LCK
SCHEMBL774373 0.82 LCK (0.72) RAB9ANPC1HPGDSMN1; SMN2LCK
SCHEMBL3582729 0.80 NPC1 (0.73) RAB9ANPC1SMN1; SMN2LCKKMT2A
SCHEMBL774608 0.79 LCK (1.00) RAB9ANPC1HPGDSMN1; SMN2LCK
SCHEMBL3589387 0.78 SMN1; SMN2 (0.70) RAB9ANPC1SMN1; SMN2LCKKMT2A
SCHEMBL4184590 0.77 RAB9A (0.58) RAB9ANPC1HPGDSMN1; SMN2KMT2A
SCHEMBL10253584 0.77 RAB9A (0.67) RAB9ANPC1HPGDSMN1; SMN2LCK
SCHEMBL3584894 0.77 RAB9A (0.80) RAB9ANPC1HPGDSMN1; SMN2LCK
SCHEMBL3579796 0.76 NPC1 (0.79) RAB9ANPC1HPGDSMN1; SMN2LCK

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 RAB9A 2428/4885NPC1 305/4885HPGD 593/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 RAB9A 2466/4885NPC1 298/4885HPGD 588/4885

“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.