SCHEMBL6166533

SCHEMBL6166533

O=C(Nc1ccc(Cl)cc1C(=O)O)OCc1cc2cc(-c3ccc(F)cc3)ccc2o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 2/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KCNH2 Q12809 1/20 0.41
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 1/20 0.40
CHRM3 P20309 2/20 0.40
MGLL Q99685 1/20 0.40
CETP P11597 1/20 0.39
POLB P06746 1/20 0.39
G6PD P11413 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
GPR35 Q9HC97 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL6165315 0.93 MGLL (0.43) CHRM3MGLLCYP2C9GPR35CHRM2
SCHEMBL6166749 0.92 MGLL (0.43) CHRM3MGLLGPR35CHRM2CHRM1
SCHEMBL6166379 0.90 MGLL (0.48) SERPINE1CHRM3MGLLCHRM2CHRM1
SCHEMBL6164514 0.90 MGLL (0.48) SERPINE1CHRM3MGLLCHRM2CHRM1
SCHEMBL6164267 0.89 CA12 (0.41) KDM4ECHRM3MGLLPOLBGPR35
SCHEMBL6162225 0.89 MGLL (0.41) MGLLPOLBCYP1A2CYP2C9RXFP1
SCHEMBL6622607 0.87 HCAR2 (0.47) NPC1RAB9AKDM4EHSD17B10MGLL
SCHEMBL6166529 0.87 MGLL (0.39) NPC1RAB9AMGLLCETPCYP1A2
SCHEMBL6164672 0.85 ACMSD (0.39) MGLL
SCHEMBL6164366 0.85 FFAR4 (0.39) NPC1RAB9AMGLLPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379516-B1 ALKOXYCARBONYLAMINO BENZOIC ACID OR ALKOXYCARBONYLAMINO TETRAZOLYL PHENYL DERIVATIVES AS IP ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-11-16 EP disclosed
US-6903086-B2 Alkoxycarbonylamino benzoic acid or alkoxycarbonylamino tetrazolyl phenyl derivatives as IP antagonists SYNTEX (U.S.A.) LLC (US) 2005-06-07 US disclosed
EP-1379516-A1 ALKOXYCARBONYLAMINO BENZOIC ACID OR ALKOXYCARBONYLAMINO TETRAZOLYL PHENYL DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 EP disclosed
US-20020165235-A1 Alkoxycarbonylamino benzoic acid or alkoxycarbonylamino tetrazolyl phenyl derivatives as IP antagonists SYNTEX (U.S.A.) LLC 2002-11-07 US disclosed
WO-2002070500-A1 ALKOXYCARBONYLAMINO BENZOIC ACID OR ALKOXYCARBONYLAMINO TETRAZOLYL PHENYL DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-12 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 (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-20020165235-A1 Alkoxycarbonylamino benzoic acid or alkoxycarbonylamino tetrazolyl phenyl derivatives as IP antagonists GPBAR1, GABRP, TBXA2R SERPINE1 1501/4885NPC1 906/4885RAB9A 3622/4885

“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.