SCHEMBL13643252

SCHEMBL13643252

C[C@H](CCO)Cc1ccc(-c2cn(C)c(C(=O)O)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.38
PTPN1 P18031 2/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
CA12 O43570 1/20 0.33
ALPL P05186 1/20 0.33
CA9 Q16790 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SYK P43405 4/20 0.32
BRS3 P32247 1/20 0.32
CENPE Q02224 1/20 0.32
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL13643253 0.90 DHODH (0.33) DHODHPTPN1PPARGPPARASYK
SCHEMBL13643251 0.83 FAAH (0.36) PPARGPPARARAB9ACENPECASP3
SCHEMBL14532003 0.79 RAB9A (0.51) CA12ALPLCA9RAB9ASMN1; SMN2
SCHEMBL2617428 0.78 ATM (0.43) PTPN1CENPE
SCHEMBL10215114 0.78 ATM (0.43) PTPN1CENPE
SCHEMBL2617426 0.77 DPP4 (0.35) DHODHPPARGPPARA
SCHEMBL13711203 0.75 CENPE (0.36) PPARGPPARASYKCENPEAVPR1B
SCHEMBL13637446 0.74 NPC1 (0.35) DHODHPTPN1CASP3SENP8SENP7
Lithium SCHEMBL31133404 0.72 SCN9A (0.46) DHODHRAB9ASMN1; SMN2
SCHEMBL13643247 0.72 PPARG (0.34) DHODHPPARGPPARASMN1; SMN2CYSLTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772507-B2 Imidazole-benzamide anti-cancer agents CYTOKINETICS, INC. (US) 2014-07-08 US disclosed
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS QIAN XIANGPING (US) 2013-04-18 US disclosed
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-11-08 US 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-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 DHODH 1141/4885PTPN1 3710/4885PPARG 2756/4885
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS KIF5B, KIF2C, PLK1 DHODH 1183/4885PTPN1 3910/4885PPARG 2510/4885

“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.