SCHEMBL6164788

SCHEMBL6164788

O=C(Nc1ccc(-c2ccc(F)cc2)cc1C(=O)O)OCc1cc2cc(-c3cccnc3)ccc2o1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.49
PIM2 Q9P1W9 1/20 0.49
ABCB1 P08183 7/20 0.41
MGLL Q99685 1/20 0.41
ABCC1 P33527 2/20 0.41
DHODH Q02127 1/20 0.40
S1PR1 P21453 1/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PGR P06401 1/20 0.39
HDAC6 Q9UBN7 2/20 0.38
PTPN1 P18031 1/20 0.38
HDAC1 Q13547 1/20 0.38
STING1 Q86WV6 1/20 0.37

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
SCHEMBL6163678 1.00 PIM1 (0.49) PIM1PIM2ABCB1MGLLABCC1
SCHEMBL6166379 0.91 MGLL (0.48) MGLLHDAC6PTPN1HDAC1
SCHEMBL6164514 0.91 MGLL (0.48) MGLLHDAC6PTPN1HDAC1
SCHEMBL6165315 0.90 MGLL (0.43) MGLLPGRHDAC6PTPN1HDAC1
SCHEMBL6163659 0.90 PIM1 (0.51) PIM1PIM2ABCB1ABCC1DHODH
SCHEMBL6166749 0.87 MGLL (0.43) MGLLDHODHPGRHDAC6PTPN1
SCHEMBL6164397 0.86 PTPN1 (0.50) MGLLPGRPTPN1
SCHEMBL6164267 0.85 CA12 (0.41) PIM1MGLLKDM4EHDAC6HDAC1
SCHEMBL6162225 0.85 MGLL (0.41) MGLLDHODHPGRHDAC6HDAC1
SCHEMBL6622607 0.84 HCAR2 (0.47) PIM1MGLLDHODHMAPTKDM4E

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 PIM1 2308/4885PIM2 2267/4885ABCB1 320/4885

“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.