SCHEMBL3541102

SCHEMBL3541102

CS(=O)(=O)C1CCN(C(=O)CN2CCN(C(=O)Cc3csc(-c4cc(Cl)ccc4C(N)=O)n3)CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.44
F10 P00742 4/20 0.44
SHMT1 P34896 4/20 0.38
HSD11B1 P28845 3/20 0.36
DPP4 P27487 1/20 0.35
NPY5R Q15761 1/20 0.35
CTPS1 P17812 2/20 0.35
SHMT2 P34897 2/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
POLB P06746 1/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL3542505 0.89 F2 (0.47) F2F10SHMT1DPP4NPY5R
SCHEMBL3536194 0.89 F2 (0.47) F2F10SHMT1DPP4NPY5R
SCHEMBL3534076 0.87 F2 (0.44) F2F10SHMT1NPY5RSHMT2
SCHEMBL3540784 0.86 F10 (0.43) F2F10SHMT1NPY5RSHMT2
SCHEMBL3540785 0.86 F10 (0.43) F2F10SHMT1NPY5RSHMT2
SCHEMBL3539854 0.82 F10 (0.49) F2F10SHMT1HSD11B1DPP4
SCHEMBL3538546 0.81 F2 (0.44) F2F10SHMT1HSD11B1NPY5R
SCHEMBL3538542 0.81 F2 (0.44) F2F10SHMT1HSD11B1NPY5R
SCHEMBL3536216 0.80 F2 (0.45) F2F10SHMT1DPP4NPY5R
SCHEMBL3537975 0.80 F2 (0.45) F2F10SHMT1DPP4NPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080146550-A1 HETEROARYLACETAMIDE INHIBITORS OF FACTOR Xa BOEHRINGER MARKUS 2008-06-19 US claimed
US-7718659-B2 Heteroarylacetamide inhibitors of factor Xa HOFFMANN-LA ROCHE INC. (US) 2010-05-18 US disclosed
US-20080146550-A1 HETEROARYLACETAMIDE INHIBITORS OF FACTOR Xa BOEHRINGER MARKUS 2008-06-19 US disclosed
EP-1846381-B1 HETEROARYLACETAMIDES AS FACTOR Xa INHIBITORS HOFFMANN LA ROCHE (CH) 2008-05-28 EP disclosed
US-7361672-B2 Heteroarylacetamide inhibitors of factor Xa HOFFMANN-LA ROCHE INC. (US) 2008-04-22 US disclosed
EP-1846381-A2 NOVEL HETEROARYLACETAMIDES F.HOFFMANN-LA ROCHE AG (CH) 2007-10-24 EP disclosed
US-20060142362-A1 Pyrazoles, triazoles, or tetrazoles substituted with an aryl- or heteroarylcarbonylamino group and an aminocarbonylmethyl group: 5-chloro-thiophene-2-carboxylic acid (1-{[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenylcarbamoyl]-methyl}-1H-[1,2,4]triazol-3-yl)-amide; improved selectivity towards thrombin F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 US disclosed
WO-2006066778-A2 NOVEL HETEROARYLACETAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 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 (2 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-20080146550-A1 HETEROARYLACETAMIDE INHIBITORS OF FACTOR Xa F12, TFPI, F2 F2 3/4885F10 9/4885SHMT1 4200/4885
US-20060142362-A1 Pyrazoles, triazoles, or tetrazoles substituted with an aryl- or heteroarylcarbonylamino group and an aminocarbonylmethyl group: 5-chloro-thiophene-2-carboxylic acid (1-{[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenylcarbamoyl]-methyl}-1H-[1,2,4]triazol-3-yl)-amide; improved selectivity towards thrombin F2, TFPI, F11 F2 1/4885F10 24/4885SHMT1 3790/4885

“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.