SCHEMBL3835622

SCHEMBL3835622

CO[C@@H]1C[C@H](C(=O)Nc2ccc(C(=O)N3CC=CC3)cc2)N(C(=O)Nc2ccc(Cl)cn2)C1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 5/20 0.58
▸ KLKB1 P03952 3/20 0.47
▸ CCNK O75909 2/20 0.43
▸ CDK12 Q9NYV4 2/20 0.43
▸ NAMPT P43490 2/20 0.41
▸ GRM5 P41594 3/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ POLB P06746 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL3833408 0.92 F10 (0.64) F10KLKB1NAMPTGRM5
SCHEMBL3830434 0.89 F10 (0.55) F10KLKB1RAB9APOLBALDH1A1
SCHEMBL3830916 0.88 F10 (0.64) F10KLKB1CCNKCDK12NAMPT
SCHEMBL3828549 0.87 KLKB1 (0.54) F10KLKB1
SCHEMBL5829868 0.83 F10 (0.64) F10KLKB1GRM5
SCHEMBL8467270 0.83 SMN1; SMN2 (0.46) F10KLKB1NAMPTRAB9ASMN1; SMN2
SCHEMBL3829772 0.82 F10 (0.65) F10KLKB1
SCHEMBL3828622 0.82 F10 (0.65) F10KLKB1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL3830346 0.80 F10 (0.53) F10KLKB1GRM5RAB9APOLB
SCHEMBL3834917 0.80 F10 (0.63) F10KLKB1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030141-B2 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade WARNER-LAMBERT COMPANY LLC 2006-04-18 — — US claimed
EP-1465864-B1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER LAMBERT CO (US) 2006-03-15 — — EP claimed
EP-1465864-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE Warner-Lambert Company LLC (US) 2004-10-13 — — EP claimed
WO-2003045912-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER-LAMBERT COMPANY LLC (US) 2003-06-05 — — WO claimed
EP-2085391-A2 Inhibitors of factor XA and other serine proteases involved in the coagulation cascade Warner-Lambert Company LLC (US) 2009-08-05 — — EP disclosed
US-20080287674-A1 Inhibitors of Factor XA and Other Serine Proteases Involved in the Coagulation Cascade WARNER-LAMBERT COMPANY LLC 2008-11-20 — — US disclosed
EP-1671949-A2 Substituted phenylamines and pyridinylamines WARNER-LAMBERT COMPANY LLC (US) 2006-06-21 — — EP disclosed
US-7030141-B2 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade WARNER-LAMBERT COMPANY LLC 2006-04-18 — — US disclosed
EP-1465864-B1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER LAMBERT CO (US) 2006-03-15 — — EP 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-20080287674-A1 Inhibitors of Factor XA and Other Serine Proteases Involved in the Coagulation Cascade TFPI, F11, F2 F10 11/4885KLKB1 116/4885CCNK 1117/4885

“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.

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