SCHEMBL6167618

SCHEMBL6167618

O=C(Nc1cccc(Cl)c1C(=O)O)OCc1cc2cc(-c3ccc(F)cc3)ccc2o1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.43
FFAR4 Q5NUL3 2/20 0.39
FFAR1 O14842 1/20 0.39
CASP3 P42574 1/20 0.38
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ANO1 Q5XXA6 1/20 0.37
MAOB P27338 1/20 0.37
NR1H4 Q96RI1 1/20 0.36
SCN9A Q15858 1/20 0.36
TP53 P04637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PGR P06401 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL6162848 0.89 MGLL (0.43) MGLLFFAR4FFAR1HDAC3HDAC1
SCHEMBL6166139 0.89 MGLL (0.43) MGLLFFAR4FFAR1HDAC3HDAC1
SCHEMBL6164433 0.89 MGLL (0.43) MGLLFFAR4FFAR1CASP3HDAC3
SCHEMBL6166454 0.88 MGLL (0.42) MGLLFFAR4FFAR1HDAC3HDAC1
SCHEMBL6166009 0.87 PIM1 (0.37) FFAR4FFAR1CASP3ANO1MAOB
SCHEMBL6161803 0.86 MGLL (0.41) MGLLFFAR4FFAR1HDAC3HDAC1
SCHEMBL6163992 0.86 PIM1 (0.49) FFAR4FFAR1CASP3HDAC1MAOB
SCHEMBL6164510 0.86 MGLL (0.41) MGLLFFAR4FFAR1HDAC3HDAC1
SCHEMBL6161802 0.86 PIM1 (0.36) FFAR4FFAR1CASP3HDAC3HDAC1
SCHEMBL6622607 0.85 HCAR2 (0.47) MGLLFFAR4FFAR1HDAC3HDAC1

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 1914/4885FFAR4 101/4885FFAR1 20/4885

“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.