SCHEMBL5222477

SCHEMBL5222477

CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3cccc(CO)c3)c2N)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 12/20 0.50
PPARG P37231 6/20 0.50
PPARA Q07869 2/20 0.50
PPARD Q03181 1/20 0.50
KCNK3 O14649 1/20 0.46
MAPT P10636 1/20 0.46
RECQL P46063 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
DHPS P49366 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL5225252 0.82 NR1H4 (0.63) NR1H4PPARGKCNK3CA1CA2
SCHEMBL7252330 0.79 NR1H4 (0.48) NR1H4PPARGPPARAPPARDMAPT
SCHEMBL6167952 0.78 DHPS (0.55) NR1H4PPARGPPARAPPARDDHPS
SCHEMBL6169820 0.77 NR1H4 (0.45) NR1H4PPARGPPARAPPARDCA1
SCHEMBL6172468 0.77 DHPS (0.57) NR1H4PPARGDHPS
SCHEMBL7519755 0.75 PTGS1 (0.63) NR1H4PPARGPPARAPPARDMAPT
SCHEMBL7295351 0.74 NR1H4 (0.76) NR1H4PPARGPPARAPPARDKCNK3
SCHEMBL6171308 0.74 RAB9A (0.60) NR1H4PPARGMAPTRECQLCA1
SCHEMBL5224891 0.73 RAB9A (0.59) NR1H4PPARGKCNK3MAPTRECQL
SCHEMBL5222678 0.71 SRD5A2 (0.50) MAPTCA1CA2NPC1RAB9A

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.