SCHEMBL6166009

SCHEMBL6166009

O=C(Nc1cccc(Cl)c1C(=O)O)OCc1cc2cc(-c3cncnc3)ccc2o1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
FFAR4 Q5NUL3 3/20 0.36
FFAR1 O14842 2/20 0.36
FTO Q9C0B1 1/20 0.36
MAOB P27338 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
CASP3 P42574 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
S1PR1 P21453 1/20 0.33
FABP3 P05413 1/20 0.33
FABP4 P15090 1/20 0.33
ANO1 Q5XXA6 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA5 P08648 1/20 0.33

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
SCHEMBL6163992 0.91 PIM1 (0.49) PIM1PIM2FFAR4FFAR1MAOB
SCHEMBL6161802 0.88 PIM1 (0.36) PIM1PIM2FFAR4FFAR1MAOB
SCHEMBL6167618 0.87 MGLL (0.43) FFAR4FFAR1MAOBCASP3NR1H4
SCHEMBL6164343 0.86 PIM1 (0.49) PIM1PIM2FFAR4MAOBTRPV1
SCHEMBL6166348 0.84 ITGB1 (0.40) PIM1PIM2MAOBCASP3NR1H4
SCHEMBL6162848 0.76 MGLL (0.43) FFAR4FFAR1MAOBANO1
SCHEMBL6164433 0.76 MGLL (0.43) FFAR4FFAR1MAOBCASP3LMNA
SCHEMBL6166139 0.76 MGLL (0.43) FFAR4FFAR1MAOBANO1
SCHEMBL6163345 0.76 CA12 (0.46) FFAR4FFAR1MAOBFABP3FABP4
SCHEMBL6166454 0.76 MGLL (0.42) FFAR4FFAR1MAOBALDH1A1FABP4

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 9 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
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 PIM1 2308/4885PIM2 2267/4885FFAR4 101/4885

“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.