SCHEMBL3496975

SCHEMBL3496975

Cc1nc(COc2ccc(CC(=O)O)cc2)cs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.51
MAPT P10636 2/20 0.50
ALOX5 P09917 2/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
PPARD Q03181 2/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LTB4R Q15722 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.44
PLA2G4B P0C869 1/20 0.44

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
SCHEMBL6977670 0.83 PKM (0.53) PKMMAPTALOX5NPC1RAB9A
Acetic Acid SCHEMBL9385119 0.82 NPC1 (0.65) PKMMAPTALOX5NPC1RAB9A
SCHEMBL973243 0.81 NPC1 (0.76) MAPTNPC1RAB9ASMN1; SMN2GAA
SCHEMBL12919371 0.81 SMN1; SMN2 (0.50) PKMMAPTALOX5NPC1RAB9A
SCHEMBL12780860 0.80 MAPT (0.58) PKMMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9428441 0.80 KDM4E (0.58) PKMMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL23488108 0.80 SMN1; SMN2 (0.57) PKMMAPTALOX5NPC1RAB9A
SCHEMBL7861771 0.79 SMN1; SMN2 (0.71) PKMMAPTALOX5NPC1RAB9A
SCHEMBL12090778 0.79 MAPT (0.66) MAPTNPC1RAB9ASMN1; SMN2GAA
SCHEMBL28745910 0.79 NPC1 (0.51) PKMMAPTALOX5NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507690-B2 Thiazole derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2013-08-13 US disclosed
US-20110015240-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2011-01-20 US disclosed
US-20100130737-A1 Regulating Agent of GPR34 Receptor Function TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-27 US disclosed
EP-1849465-A1 AGENT FOR CONTROLLING FUNCTION OF GPR34 RECEPTOR Takeda Pharmaceutical Company Limited (JP) 2007-10-31 EP 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-20100130737-A1 Regulating Agent of GPR34 Receptor Function GPR34, GPR4, GPR6 PKM 4229/4885MAPT 4820/4885ALOX5 3405/4885
US-20110015240-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR VAPB, TAS1R1, VAPA PKM 4411/4885MAPT 858/4885ALOX5 4001/4885

“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.