SCHEMBL6166638

SCHEMBL6166638

O=C(Nc1cc(-c2ccccc2)ccc1C(=O)O)OCc1cc2cc(-c3ccccc3)ccc2o1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACLY P53396 10/20 0.44
MAOB P27338 1/20 0.44
MGLL Q99685 2/20 0.41
PTPN1 P18031 1/20 0.41
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
HCAR2 Q8TDS4 1/20 0.39
GRIK1 P39086 1/20 0.39
DHODH Q02127 1/20 0.39
ENPP2 Q13822 1/20 0.39

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
SCHEMBL6163345 0.94 CA12 (0.46) MAOBMGLLPTPN1CA12CA2
SCHEMBL6164397 0.92 PTPN1 (0.50) ACLYMAOBMGLLPTPN1CA12
SCHEMBL6166691 0.92 MAOB (0.47) MAOBMGLLPTPN1FFAR1FFAR4
SCHEMBL6622607 0.89 HCAR2 (0.47) MAOBMGLLCA12CA2CA9
SCHEMBL6163347 0.89 TRPM2 (0.48) MAOBMGLLPTPN1CA12CA2
SCHEMBL5774221 0.88 KDM4C (0.47) MAOB
SCHEMBL6164514 0.88 MGLL (0.48) ACLYMAOBMGLLPTPN1FFAR1
SCHEMBL6166379 0.88 MGLL (0.48) ACLYMAOBMGLLPTPN1FFAR1
SCHEMBL6162827 0.85 MAOB (0.43) MAOBMGLLPTPN1CA12CA2
SCHEMBL6165120 0.85 MAOB (0.41) MAOBPTPN1

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 ACLY 3889/4885MAOB 1558/4885MGLL 1914/4885

“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.