SCHEMBL1122872

SCHEMBL1122872

COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1ccc(OCCOc2ccc3cccnc3c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.58
RAB9A P51151 1/20 0.58
PPARG P37231 3/20 0.54
PTPN1 P18031 2/20 0.54
GPR132 Q9UNW8 7/20 0.54
CYP3A4 P08684 1/20 0.53
ERAP2 Q6P179 1/20 0.53
LNPEP Q9UIQ6 1/20 0.53
PPARD Q03181 2/20 0.51
PPARA Q07869 2/20 0.51
TRPM8 Q7Z2W7 1/20 0.49
YAP1 P46937 2/20 0.48
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
CMKLR2 P46091 1/20 0.47
CMKLR1 Q99788 1/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL1123610 0.92 GPR132 (0.64) PPARGPTPN1GPR132CYP3A4TRPM8
SCHEMBL1122748 0.87 GAA (0.59) GAARAB9APPARGPTPN1GPR132
SCHEMBL1122828 0.85 RAB9A (0.57) GAARAB9APPARGPTPN1GPR132
SCHEMBL1122632 0.85 GAA (0.63) GAARAB9APPARGPTPN1GPR132
SCHEMBL1123054 0.85 GAA (0.63) GAARAB9APPARGPTPN1GPR132
SCHEMBL1123055 0.84 GAA (0.80) GAARAB9APPARGPTPN1GPR132
SCHEMBL1123513 0.84 GAA (0.55) GAARAB9APPARGPTPN1GPR132
SCHEMBL1123515 0.84 GAA (0.55) GAARAB9APPARGPTPN1GPR132
SCHEMBL2101086 0.83 MMP9 (0.58) PTPN1GPR132CYP3A4ERAP2LNPEP
SCHEMBL1123147 0.82 GAA (0.71) GAARAB9APPARGPTPN1GPR132

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 6 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 claimed
US-20060160894-A1 Benzamides as ppar modulators LABORATORIOS S.A.L.V.A.T.,S.A. (ES) 2006-07-20 US claimed
EP-1644321-A2 NEW BENZAMIDES AS PPATY MODULATORS LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2006-04-12 EP claimed
WO-2004110983-A2 NEW BENZAMIDES AS PPARϒ MODULATORS LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2004-12-23 WO claimed
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 GAA 3048/4885RAB9A 4567/4885PPARG 3/4885

“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.