SCHEMBL5226864

SCHEMBL5226864

CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 16/20 0.77
PPARG P37231 11/20 0.72
PPARA Q07869 7/20 0.72
PPARD Q03181 1/20 0.72
KCNK9 Q9NPC2 1/20 0.65
TP53 P04637 1/20 0.64
THRB P10828 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64

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
SCHEMBL29903436 0.93 NR1H4 (0.74) NR1H4PPARGPPARAPPARD
SCHEMBL5223950 0.91 NR1H4 (0.71) NR1H4PPARGPPARAPPARDTP53
SCHEMBL5223825 0.89 NR1H4 (0.71) NR1H4PPARGPPARAPPARD
SCHEMBL5226687 0.89 NPC1 (0.74) NR1H4PPARGPPARAPPARDSMN1; SMN2
SCHEMBL5222902 0.89 NR1H4 (0.67) NR1H4PPARGPPARAPPARD
SCHEMBL22060020 0.89 NR1H4 (0.84) NR1H4PPARGPPARAPPARDKCNK9
SCHEMBL5224325 0.88 NR1H4 (0.80) NR1H4PPARGPPARAPPARDKCNK9
SCHEMBL4250752 0.88 KCNK9 (0.81) NR1H4KCNK9TP53THRBSMN1; SMN2
SCHEMBL5223218 0.87 NR1H4 (0.73) NR1H4PPARGPPARAPPARDTP53
SCHEMBL6105957 0.87 NR1H4 (0.78) NR1H4PPARGPPARASMN1; SMN2

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 2764/4885PPARA 3286/4885

“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.