SCHEMBL6166293

SCHEMBL6166293

O=C(Nc1ccc(-c2ccccc2)cc1C(=O)O)OCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.61
MGLL Q99685 3/20 0.60
ENPP2 Q13822 2/20 0.58
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
EPHX1 P07099 1/20 0.50
HCAR2 Q8TDS4 3/20 0.49
HDAC3 O15379 1/20 0.48
SERPINE1 P05121 1/20 0.48
MCL1 Q07820 1/20 0.48
LTC4S Q16873 1/20 0.48
NAAA Q02083 1/20 0.47
ROCK2 O75116 1/20 0.47
MAOB P27338 1/20 0.47

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
SCHEMBL5055502 0.89 NPC1 (0.58) PTPN1MGLLENPP2NPC1RAB9A
SCHEMBL6161722 0.88 MGLL (0.56) PTPN1MGLLENPP2NPC1RAB9A
SCHEMBL14413323 0.84 LTC4S (0.67) MGLLENPP2NPC1RAB9AHDAC1
SCHEMBL3496550 0.83 NPC1 (0.58) MGLLNPC1RAB9AHDAC1HDAC2
SCHEMBL27608697 0.83 ENPP2 (0.65) PTPN1MGLLENPP2NPC1RAB9A
SCHEMBL27772672 0.82 NPC1 (0.55) MGLLENPP2NPC1RAB9AHDAC1
SCHEMBL3793285 0.82 MGLL (0.63) PTPN1MGLLENPP2NPC1RAB9A
SCHEMBL27608693 0.81 MGLL (0.54) MGLLENPP2NPC1RAB9AHDAC1
SCHEMBL1131165 0.81 CASP3 (0.61) MGLLNPC1RAB9ASERPINE1
SCHEMBL26030821 0.81 CASP3 (0.62) MGLLNPC1RAB9AMAOB

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 6 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
CN-1527824-A Alkoxycarbonylamino benzoic acid or alkoxycarbonylamino tetrazolyl phenyl derilatives as IP antagonists - 2004-09-08 CN 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 PTPN1 460/4885MGLL 1914/4885ENPP2 327/4885

“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.