SCHEMBL6161722

SCHEMBL6161722

COC(=O)c1cc(-c2ccccc2)ccc1NC(=O)OCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.56
ENPP2 Q13822 2/20 0.55
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
MAPT P10636 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
TACR3 P29371 1/20 0.47
EPHX1 P07099 1/20 0.47
PTPN1 P18031 1/20 0.47
MMP12 P39900 1/20 0.46
NAAA Q02083 2/20 0.46
CASP3 P42574 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC3 O15379 1/20 0.46
NR4A2 P43354 1/20 0.45

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
SCHEMBL5056843 0.90 CYP2C19 (0.60) MGLLENPP2RAB9ANPC1MAPT
SCHEMBL6166293 0.88 PTPN1 (0.61) MGLLENPP2RAB9ANPC1HDAC1
SCHEMBL1095126 0.82 CASP3 (0.58) MGLLRAB9ANPC1CYP1A2CYP2C19
SCHEMBL6162827 0.81 MAOB (0.43) MGLLENPP2RAB9ANPC1MAPT
SCHEMBL10874779 0.81 NPC1 (0.68) RAB9ANPC1MAPTCYP1A2CYP2C19
SCHEMBL27608693 0.80 MGLL (0.54) MGLLENPP2RAB9ANPC1HDAC1
SCHEMBL5055502 0.80 NPC1 (0.58) MGLLENPP2RAB9ANPC1EPHX1
SCHEMBL27608697 0.80 ENPP2 (0.65) MGLLENPP2RAB9ANPC1HDAC1
SCHEMBL1800596 0.79 ALDH1A1 (0.54) MAPTCYP1A2CYP2C19PTPN1KMT2A
SCHEMBL3793285 0.79 MGLL (0.63) MGLLENPP2RAB9ANPC1HDAC1

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 MGLL 1914/4885ENPP2 327/4885RAB9A 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.