SCHEMBL3569304

SCHEMBL3569304

O=C(Nc1ccc(Cl)cc1)NC(C(=O)O)c1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.52
FPR2 P25090 1/20 0.50
CNR2 P34972 1/20 0.47
CASR P41180 1/20 0.45
MAPT P10636 2/20 0.44
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL3562255 0.86 FPR2 (0.68) CNR1FPR2MAPTALDH1A1NPC1
SCHEMBL3563025 0.86 CNR1 (0.55) CNR1FPR2CASRMAPTALDH1A1
SCHEMBL3557437 0.84 CNR1 (0.52) CNR1FPR2CASRMAPTALDH1A1
SCHEMBL3564247 0.84 CNR1 (0.52) CNR1FPR2CASRMAPTALDH1A1
SCHEMBL3563416 0.84 FPR2 (0.57) CNR1FPR2CASRMAPTALDH1A1
SCHEMBL3566192 0.82 ATM (0.54) CNR1FPR2MAPTALDH1A1NPC1
SCHEMBL3568468 0.81 FPR2 (0.73) CNR1FPR2CASRMAPTALDH1A1
SCHEMBL5632770 0.81 FPR2 (0.73) CNR1FPR2CASRMAPTALDH1A1
SCHEMBL6373252 0.81 FPR2 (0.73) CNR1FPR2CASRMAPTALDH1A1
SCHEMBL3568226 0.80 CNR1 (0.46) CNR1FPR2CASRMAPTALDH1A1

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 7 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
US-20050137230-A1 Carboxamide derivatives DORSCH DIETER (DE) 2005-06-23 US disclosed
US-20040038858-A1 Carboxamide derivatives and their use in the treatment of thromboembolic diseases and tumours MERCK PATENT GMBH (DE) 2004-02-26 US disclosed
EP-1341755-A1 CARBOXYLIC ACID AMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF THROMBOEMBOLIC DISEASES AND TUMOURS MERCK PATENT GmbH (DE) 2003-09-10 EP disclosed
WO-2002048099-A1 CARBOXYLIC ACID AMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF THROMBOEMBOLIC DISEASES AND TUMOURS MERCK PATENT GMBH (DE) 2002-06-20 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 (3 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-20050137230-A1 Carboxamide derivatives F11, F12, F2 CNR1 6/4885FPR2 766/4885CNR2 25/4885
US-20060160821-A1 Ureas as factor Xa inhibitors TFPI, F12, F11 CNR1 1500/4885FPR2 2332/4885CNR2 1984/4885
US-20040038858-A1 Carboxamide derivatives and their use in the treatment of thromboembolic diseases and tumours CNR2, CNR1, HCAR2 CNR1 2/4885FPR2 176/4885CNR2 1/4885

“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.