SCHEMBL4466138

SCHEMBL4466138

O=C(NC(CO)C(=O)O)c1ccc(Cl)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.49
CA1 P00915 2/20 0.49
F2 P00734 1/20 0.49
DAO P14920 1/20 0.49
MAPK1 P28482 2/20 0.46
GSK3B P49841 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
NFKB1 P19838 1/20 0.44
CASP1 P29466 1/20 0.44
RAB9A P51151 1/20 0.44
CASP7 P55210 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HPGD P15428 2/20 0.43

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
SCHEMBL4028934 1.00 CA2 (0.49) CA2CA1F2DAOMAPK1
SCHEMBL4479043 0.84 ALDH1A1 (0.59) CA2CA1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL4031357 0.84 ALDH1A1 (0.59) CA2CA1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL27706200 0.78 SMN1; SMN2 (0.46) F2DAOMAPK1SMN1; SMN2KDM4E
SCHEMBL3425969 0.78 SMN1; SMN2 (0.52) CA2CA1F2DAOMAPK1
SCHEMBL3425960 0.78 SMN1; SMN2 (0.52) CA2CA1F2DAOMAPK1
SCHEMBL23633248 0.77 C3AR1 (0.52) CA2CA1F10C3AR1
SCHEMBL166992 0.76 F2 (0.63) F2DAOMAPK1GSK3BSMN1; SMN2
SCHEMBL27856500 0.76 F2 (0.42) F2DAOMAPK1GSK3BSMN1; SMN2
SCHEMBL13754450 0.75 SMN1; SMN2 (0.59) F2DAOMAPK1GSK3BSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579346-B2 (R)-2-[(5-chlorothiophene-2-carbonyl)amino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]4-methylvaleramide, for example; inhibitors of coagulation factor Xa and can be employed for the prophylaxis and/or therapy of thromboembolic diseases and for the treatment of tumors MERCK PATENT GMBH (DE) 2009-08-25 US disclosed
US-20060052376-A1 Carboxamides MERCK PATENT GMBH (DE) 2006-03-09 US 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-20060052376-A1 Carboxamides F11, F12, F10 CA2 1793/4885CA1 1112/4885F2 4/4885

“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.