SCHEMBL1122689

SCHEMBL1122689

O=C(N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1ccc(OCCc2ccccn2)cc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 7/20 0.66
ITGB3 P05106 4/20 0.64
ITGB1 P05556 4/20 0.64
ITGA5 P08648 4/20 0.64
ITGAV P06756 3/20 0.64
KMT2A Q03164 1/20 0.57
ITGA2B P08514 1/20 0.57
GPR34 Q9UPC5 1/20 0.54
PTPN1 P18031 2/20 0.53
PPARG P37231 3/20 0.53
CMKLR2 P46091 1/20 0.52
CMKLR1 Q99788 1/20 0.52

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
SCHEMBL1123019 0.92 GAA (0.62) GPR132ITGB3ITGB1ITGA5ITGAV
SCHEMBL1123264 0.89 GPR132 (0.68) GPR132ITGB3ITGB1ITGA5ITGAV
SCHEMBL1123333 0.87 GPR132 (0.67) GPR132ITGB3ITGB1ITGA5ITGAV
SCHEMBL1123232 0.86 GPR132 (0.77) GPR132ITGB3ITGA2BGPR34PTPN1
SCHEMBL1123033 0.86 GPR132 (0.77) GPR132ITGB3ITGA2BGPR34PTPN1
SCHEMBL1123299 0.86 GPR132 (0.77) GPR132ITGB3ITGA2BGPR34PTPN1
SCHEMBL27658914 0.86 GPR132 (0.77) GPR132ITGB3ITGA2BGPR34PTPN1
SCHEMBL1122857 0.86 GPR132 (0.67) GPR132ITGB3ITGB1ITGA5ITGAV
SCHEMBL27659028 0.86 GPR132 (0.67) GPR132ITGB3ITGB1ITGA5ITGAV
SCHEMBL1122757 0.85 GPR132 (0.78) GPR132ITGB3ITGA2BGPR34PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644321-B1 NEW BENZAMIDES AS PPATY MODULATORS S A L V A T LAB SA (ES) 2011-02-09 EP disclosed
US-20060160894-A1 Benzamides as ppar modulators LABORATORIOS S.A.L.V.A.T.,S.A. (ES) 2006-07-20 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 (1 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-20060160894-A1 Benzamides as ppar modulators PPARD, PPARA, PPARG GPR132 122/4885ITGB3 1819/4885ITGB1 3211/4885

“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.