SCHEMBL5229003

SCHEMBL5229003

COc1ccc(NC(=O)c2ccc(NC(C)=O)cc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 11/20 0.68
PPARG P37231 4/20 0.66
PPARD Q03181 1/20 0.66
GPBAR1 Q8TDU6 1/20 0.66
TP53 P04637 3/20 0.58
MAPT P10636 3/20 0.58
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
HTT P42858 1/20 0.58
PPARA Q07869 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
ALOX15 P16050 1/20 0.56
RXFP1 Q9HBX9 1/20 0.54
F10 P00742 1/20 0.52
TRPV1 Q8NER1 1/20 0.52
MEN1 O00255 1/20 0.52
POLB P06746 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL7251700 0.88 NR1H4 (0.64) NR1H4PPARGPPARDGPBAR1TP53
SCHEMBL5224694 0.87 NR1H4 (0.63) NR1H4PPARGPPARDGPBAR1TP53
SCHEMBL5226461 0.87 NR1H4 (0.63) NR1H4PPARGPPARDGPBAR1TP53
SCHEMBL5223816 0.87 NR1H4 (0.65) NR1H4PPARGPPARDGPBAR1TP53
SCHEMBL5224116 0.86 NR1H4 (0.65) NR1H4PPARGPPARDGPBAR1TP53
SCHEMBL5223117 0.86 F10 (0.64) NR1H4PPARGPPARDGPBAR1TP53
SCHEMBL5225427 0.86 NR1H4 (0.61) NR1H4PPARGPPARDGPBAR1TP53
SCHEMBL5228996 0.85 NR1H4 (0.69) NR1H4PPARGPPARDGPBAR1TP53
SCHEMBL5224050 0.84 NR1H4 (0.60) NR1H4PPARGPPARDGPBAR1TP53
SCHEMBL5223218 0.84 NR1H4 (0.73) NR1H4PPARGPPARDGPBAR1TP53

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-1014962-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2007-06-27 EP disclosed
US-6605626-B2 Benzamide inhibitors of factor Xa ELI LILLY AND COMPANY 2003-08-12 US disclosed
US-20020120007-A1 Benzamide inhibitors of factor Xa BEIGHT DOUGLAS WADE (US) 2002-08-29 US disclosed
US-6313122-B1 AS INHIBITORS OF FACTOR XA AND ARE USED AS ANTICOAGULANTS IN MAMMALS ELI LILLY AND COMPANY 2001-11-06 US disclosed
EP-1014962-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
WO-1999000121-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 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-20020120007-A1 Benzamide inhibitors of factor Xa TFPI, F11, F12 NR1H4 2304/4885PPARG 2764/4885PPARD 3501/4885

“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.