SCHEMBL4594050

SCHEMBL4594050

Cc1ccc2sc(C(=O)NCC3CC(=O)N(c4ccc(-n5ccnc5CN(C)C)cc4)C3)nc2c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 15/20 0.39
▸ ITGB3 P05106 1/20 0.36
▸ ITGB1 P05556 1/20 0.36
▸ ITGAV P06756 1/20 0.36
▸ ITGA2B P08514 1/20 0.36
▸ ITGA5 P08648 1/20 0.36
▸ ITGB5 P18084 1/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAOB P27338 1/20 0.34
▸ KDM4E B2RXH2 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
SCHEMBL5639265 0.92 F10 (0.44) F10MEN1KMT2A
SCHEMBL5641661 0.90 CNR1 (0.47) F10CNR1MEN1KMT2AMAOB
SCHEMBL5642220 0.87 F10 (0.41) F10ITGB3ITGB1ITGAVITGA2B
SCHEMBL4594170 0.86 F10 (0.41) F10ITGB3ITGB1ITGAVITGA2B
SCHEMBL5639572 0.85 F10 (0.44) F10
SCHEMBL5643675 0.81 F10 (0.39) F10ITGB3ITGB1ITGAVITGA2B
SCHEMBL5639920 0.81 F10 (0.49) F10ITGB3ITGB1ITGAVITGA2B
SCHEMBL5642215 0.81 F10 (0.42) F10
SCHEMBL5642593 0.81 F10 (0.47) F10
SCHEMBL5638362 0.80 F10 (0.41) F10ITGB3ITGB1ITGAVITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667647-A4 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-10-22 — — EP disclosed
US-7199149-B2 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-04-03 — — US disclosed
EP-1667647-A2 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2006-06-14 — — EP disclosed
US-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMANY 2005-05-19 — — US disclosed
WO-2005032468-A2 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-14 — — 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 (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-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors F2, F12, SPINT2 F10 18/4885ITGB3 2655/4885ITGB1 1935/4885

“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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