SCHEMBL3564244

SCHEMBL3564244

NC(=O)N(c1ccc(Cl)cc1)C(C(=O)O)c1ccccc1I

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 3/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PPARG P37231 5/20 0.33
PPARA Q07869 5/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
PTGS2 P35354 1/20 0.33
GAA P10253 1/20 0.33
ATM Q13315 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
MDM2 Q00987 4/20 0.33
MDM4 O15151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL5803975 0.90 MDM2 (0.34) CES2CES1NPC1RAB9AALDH1A1
SCHEMBL3563022 0.86 MDM2 (0.41) CES2CES1NPC1RAB9AALDH1A1
SCHEMBL3569300 0.84 CNR2 (0.41) CES2CES1NPC1RAB9AALDH1A1
SCHEMBL3557436 0.84 PPARG (0.38) CES2CES1NPC1RAB9AALDH1A1
SCHEMBL3563412 0.84 PPARA (0.38) CES2CES1NPC1RAB9AALDH1A1
SCHEMBL3566188 0.82 ATM (0.45) NPC1ALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL3568466 0.81 TRPM8 (0.41) CES2CES1NPC1RAB9AALDH1A1
SCHEMBL3573000 0.80 PPARA (0.44) ALDH1A1MAPTPPARGPPARAKMT2A
SCHEMBL3569468 0.78 CYP11B1 (0.39) PPARGPPARAMDM2MDM4
SCHEMBL3568224 0.78 KIF11 (0.33) CES2CES1NPC1RAB9AALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678913-B2 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-03-16 US disclosed
US-20060160821-A1 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2006-07-20 US disclosed
WO-2006063113-A2 UREAS AS FACTOR XA INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2006-06-15 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-20060160821-A1 Ureas as factor Xa inhibitors TFPI, F12, F11 CES2 628/4885CES1 124/4885NPC1 1325/4885

“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.