SCHEMBL6165315

SCHEMBL6165315

O=C(Nc1ccc(-c2ccc(F)cc2)cc1C(=O)O)OCc1cc2cc(-c3ccc(F)cc3)ccc2o1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.43
PTPN1 P18031 1/20 0.40
PGR P06401 1/20 0.39
HDAC1 Q13547 5/20 0.39
HDAC2 Q92769 5/20 0.39
HDAC3 O15379 4/20 0.39
MAOB P27338 1/20 0.39
GPR35 Q9HC97 1/20 0.38
FFAR1 O14842 2/20 0.37
FFAR4 Q5NUL3 2/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
CYP2C9 P11712 1/20 0.36
CACNA1C Q13936 1/20 0.36
SLC16A3 O15427 1/20 0.35

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
SCHEMBL6164514 0.97 MGLL (0.48) MGLLPTPN1HDAC1HDAC2HDAC3
SCHEMBL6166379 0.97 MGLL (0.48) MGLLPTPN1HDAC1HDAC2HDAC3
SCHEMBL6166749 0.97 MGLL (0.43) MGLLPTPN1PGRHDAC1HDAC2
SCHEMBL6162225 0.94 MGLL (0.41) MGLLPGRHDAC1HDAC2HDAC3
SCHEMBL6164267 0.94 CA12 (0.41) MGLLHDAC1HDAC2HDAC3MAOB
SCHEMBL6166533 0.93 SERPINE1 (0.43) MGLLGPR35CHRM2CHRM1CHRM3
SCHEMBL6622607 0.92 HCAR2 (0.47) MGLLHDAC1HDAC2HDAC3MAOB
SCHEMBL6622615 0.92 MAOB (0.49) MGLLPTPN1MAOBHCAR2
SCHEMBL6164672 0.92 ACMSD (0.39) MGLLPTPN1PGRHDAC1HDAC2
SCHEMBL6164397 0.91 PTPN1 (0.50) MGLLPTPN1PGRMAOBFFAR1

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 10 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 claimed
US-6903086-B2 Alkoxycarbonylamino benzoic acid or alkoxycarbonylamino tetrazolyl phenyl derivatives as IP antagonists SYNTEX (U.S.A.) LLC (US) 2005-06-07 US claimed
EP-1379516-A1 ALKOXYCARBONYLAMINO BENZOIC ACID OR ALKOXYCARBONYLAMINO TETRAZOLYL PHENYL DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 EP claimed
US-20020165235-A1 Alkoxycarbonylamino benzoic acid or alkoxycarbonylamino tetrazolyl phenyl derivatives as IP antagonists SYNTEX (U.S.A.) LLC 2002-11-07 US claimed
WO-2002070500-A1 ALKOXYCARBONYLAMINO BENZOIC ACID OR ALKOXYCARBONYLAMINO TETRAZOLYL PHENYL DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-12 WO claimed
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 MGLL 1914/4885PTPN1 460/4885PGR 532/4885

“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.