SCHEMBL6162827

SCHEMBL6162827

COC(=O)c1cc(-c2ccccc2)ccc1NC(=O)OCc1cc2cc(-c3ccccc3)ccc2o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 5/20 0.40
GAA P10253 2/20 0.40
MGLL Q99685 2/20 0.40
PTPN1 P18031 1/20 0.39
KDM4E B2RXH2 3/20 0.39
HTT P42858 2/20 0.39
HPGD P15428 1/20 0.39
NR4A2 P43354 2/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL6164397 0.90 PTPN1 (0.50) MAOBFFAR1FFAR4ALDH1A1MGLL
SCHEMBL6163345 0.86 CA12 (0.46) MAOBNPC1RAB9AFFAR1FFAR4
SCHEMBL6166379 0.86 MGLL (0.48) MAOBFFAR1FFAR4MGLLPTPN1
SCHEMBL6164514 0.86 MGLL (0.48) MAOBFFAR1FFAR4MGLLPTPN1
SCHEMBL6166638 0.85 ACLY (0.44) MAOBFFAR1FFAR4MGLLPTPN1
SCHEMBL6163347 0.84 TRPM2 (0.48) MAOBNPC1RAB9AFFAR1FFAR4
SCHEMBL6166691 0.83 MAOB (0.47) MAOBNPC1RAB9AFFAR1FFAR4
SCHEMBL6164962 0.83 MAOB (0.43) MAOBFFAR1FFAR4MGLLPTPN1
SCHEMBL6167537 0.83 ADAMTS4 (0.41) MAOBMGLLPTPN1KMT2A
SCHEMBL5774430 0.83 MAOB (0.40) MAOBNPC1RAB9AFFAR1FFAR4

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 MAOB 1558/4885NPC1 906/4885RAB9A 3622/4885

“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.