SCHEMBL5222902

SCHEMBL5222902

CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 13/20 0.67
PPARG P37231 10/20 0.66
PPARA Q07869 6/20 0.66
PPARD Q03181 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
TSHR P16473 1/20 0.60
CYP2C19 P33261 1/20 0.60
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
TRPV1 Q8NER1 1/20 0.58
POLB P06746 1/20 0.58
TDP1 Q9NUW8 1/20 0.58

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
SCHEMBL5226864 0.89 NR1H4 (0.77) NR1H4PPARGPPARAPPARD
SCHEMBL5223950 0.88 NR1H4 (0.71) NR1H4PPARGPPARAPPARD
SCHEMBL29903436 0.88 NR1H4 (0.74) NR1H4PPARGPPARAPPARD
SCHEMBL5226687 0.87 NPC1 (0.74) NR1H4PPARGPPARAPPARD
SCHEMBL5223825 0.87 NR1H4 (0.71) NR1H4PPARGPPARAPPARD
SCHEMBL12336609 0.86 MEN1 (0.68) CYP1A2CYP2D6TSHRCYP2C19MEN1
SCHEMBL7301130 0.86 TRPV1 (0.76) NR1H4MEN1KMT2ATRPV1
SCHEMBL1687868 0.86 TRPV1 (0.76) NR1H4MEN1KMT2ATRPV1
SCHEMBL21652312 0.86 TRPV1 (0.76) NR1H4MEN1KMT2ATRPV1
SCHEMBL5223218 0.85 NR1H4 (0.73) NR1H4PPARGPPARAPPARDMEN1

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.