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SCHEMBL3538546

SCHEMBL3538546

NC(=O)c1ccc(Cl)cc1-c1nc(CC(=O)N2CCN(CC(=O)N3[C@@H]4CC[C@H]3CC(O)C4)CC2)cs1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.44
▸ F10 P00742 4/20 0.44
▸ SHMT1 P34896 8/20 0.35
▸ SHMT2 P34897 6/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ PTGER1 P34995 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ NPY5R Q15761 1/20 0.33
▸ HSD11B1 P28845 1/20 0.32
▸ ENPP2 Q13822 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL3538542 1.00 F2 (0.44) F2F10SHMT1SHMT2EPHX2
SCHEMBL3542505 0.87 F2 (0.47) F2F10SHMT1SHMT2EPHX2
SCHEMBL3536194 0.83 F2 (0.47) F2F10SHMT1SHMT2PTGER1
SCHEMBL3539854 0.82 F10 (0.49) F2F10SHMT1SHMT2PTGER1
SCHEMBL3536212 0.81 F2 (0.45) F2F10SHMT1SHMT2NPY5R
SCHEMBL3537975 0.81 F2 (0.45) F2F10SHMT1SHMT2NPY5R
SCHEMBL3536216 0.81 F2 (0.45) F2F10SHMT1SHMT2NPY5R
SCHEMBL3535906 0.81 F2 (0.50) F2F10SHMT1SHMT2
SCHEMBL3541102 0.81 F2 (0.44) F2F10SHMT1SHMT2LMNA
SCHEMBL3534076 0.81 F2 (0.44) F2F10SHMT1SHMT2LMNA

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
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
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

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.