SCHEMBL3587905

SCHEMBL3587905

Cc1nc(NC(=O)c2ccco2)sc1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 1.00
TDP1 Q9NUW8 1/20 1.00
ALDH1A1 P00352 4/20 0.77
HPGD P15428 4/20 0.77
RAB9A P51151 6/20 0.72
KDM4E B2RXH2 4/20 0.72
MEN1 O00255 4/20 0.69
KMT2A Q03164 4/20 0.69
MAPT P10636 4/20 0.69
LCK P06239 2/20 0.69
LMNA P02545 2/20 0.69
POLB P06746 1/20 0.69
TSHR P16473 1/20 0.69
NPC1 O15118 5/20 0.65
SMN1; SMN2 Q16637 5/20 0.65
TP53 P04637 1/20 0.65
PPARG P37231 2/20 0.64
STAT1 P42224 1/20 0.64
HSD17B10 Q99714 1/20 0.64
NR2E3 Q9Y5X4 1/20 0.64

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
SCHEMBL4397896 0.91 PKM (0.83) PKMTDP1ALDH1A1HPGDRAB9A
SCHEMBL3587473 0.88 KDM4E (0.81) PKMTDP1ALDH1A1HPGDRAB9A
SCHEMBL4189293 0.87 PKM (0.76) PKMTDP1ALDH1A1HPGDRAB9A
SCHEMBL4189264 0.87 PKM (0.76) PKMTDP1ALDH1A1HPGDRAB9A
SCHEMBL4195677 0.84 PKM (0.70) PKMTDP1ALDH1A1HPGDRAB9A
SCHEMBL3589722 0.83 LCK (0.71) PKMTDP1ALDH1A1HPGDRAB9A
SCHEMBL773591 0.82 LCK (1.00) PKMTDP1ALDH1A1HPGDRAB9A
SCHEMBL773972 0.80 LCK (1.00) PKMTDP1ALDH1A1HPGDRAB9A
SCHEMBL27727647 0.80 PKM (0.63) PKMTDP1ALDH1A1HPGDRAB9A
SCHEMBL3582729 0.79 NPC1 (0.73) PKMTDP1ALDH1A1RAB9AKDM4E

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 PKM 1471/4885TDP1 2241/4885ALDH1A1 927/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 PKM 1445/4885TDP1 2226/4885ALDH1A1 910/4885

“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.