SCHEMBL6163345

SCHEMBL6163345

O=C(Nc1ccccc1C(=O)O)OCc1cc2cc(-c3ccccc3)ccc2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
DHODH Q02127 1/20 0.45
MAOB P27338 1/20 0.45
HCAR2 Q8TDS4 6/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
SUCNR1 Q9BXA5 1/20 0.43
MGLL Q99685 2/20 0.42
PTPN1 P18031 1/20 0.41
TRPM2 O94759 2/20 0.41
LTB4R Q15722 1/20 0.41
FABP3 P05413 1/20 0.41
FABP4 P15090 1/20 0.41
FABP5 Q01469 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41

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
SCHEMBL6166638 0.94 ACLY (0.44) CA12CA2CA9DHODHMAOB
SCHEMBL6622607 0.94 HCAR2 (0.47) CA12CA2CA9DHODHMAOB
SCHEMBL6164397 0.93 PTPN1 (0.50) CA12CA2CA9MAOBMGLL
SCHEMBL6166691 0.90 MAOB (0.47) MAOBMEN1NPC1RAB9AKMT2A
SCHEMBL6163347 0.89 TRPM2 (0.48) CA12CA2CA9MAOBMEN1
SCHEMBL5774221 0.89 KDM4C (0.47) MAOB
SCHEMBL6166379 0.89 MGLL (0.48) MAOBHCAR2MGLLPTPN1FFAR1
SCHEMBL6164514 0.89 MGLL (0.48) MAOBHCAR2MGLLPTPN1FFAR1
SCHEMBL6164836 0.86 SUCNR1 (0.46) MAOBSUCNR1MGLLFFAR1FFAR4
SCHEMBL6162827 0.86 MAOB (0.43) CA12CA2CA9MAOBNPC1

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 CA12 3979/4885CA2 618/4885CA9 2581/4885

“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.