SCHEMBL5478295

SCHEMBL5478295

O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=S)O1)c1ccc(Cl)s1

nearest known ligand 0.85

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.85
F2 P00734 2/20 0.85
ABCB11 O95342 1/20 0.85
ST14 Q9Y5Y6 1/20 0.85
CYP1A2 P05177 2/20 0.68
CYP3A4 P08684 2/20 0.68
CYP2D6 P10635 2/20 0.68
CYP2C9 P11712 2/20 0.68
CYP2C19 P33261 2/20 0.68
CYP2J2 P51589 1/20 0.61

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
Rivaroxaban SCHEMBL3914 0.92 F10 (1.00) F10F2ABCB11ST14CYP1A2
Rivaroxaban SCHEMBL77766 0.92 F10 (1.00) F10F2ABCB11ST14CYP1A2
Rivaroxaban SCHEMBL7721848 0.92 F10 (1.00) F10F2ABCB11ST14CYP1A2
Rivaroxaban SCHEMBL14796329 0.91 F10 (0.98) F10F2ABCB11ST14CYP1A2
SCHEMBL3375861 0.90 F10 (0.86) F10F2ABCB11ST14CYP1A2
SCHEMBL13068882 0.89 F10 (0.85) F10F2ABCB11ST14CYP1A2
Rivaroxaban SCHEMBL14796410 0.87 F10 (0.90) F10F2ABCB11ST14CYP1A2
Rivaroxaban SCHEMBL30893049 0.86 F10 (0.90) F10F2ABCB11ST14CYP1A2
SCHEMBL21305662 0.86 F10 (0.80) F10F2ABCB11ST14CYP1A2
SCHEMBL4588009 0.85 F10 (0.77) F10F2ABCB11ST14CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070066615-A1 Heterocyclic compounds BAYER HEATHCARE AG (DE) 2007-03-22 US disclosed
US-20070066615-A1 Heterocyclic compounds BAYER HEATHCARE AG (DE) 2007-03-22 US disclosed
US-20070066615-A1 Heterocyclic compounds BAYER HEATHCARE AG (DE) 2007-03-22 US disclosed
WO-2004101557-A1 HETEROCYCLIC COMPOUNDS BAYER HEALTHCARE AG (DE) 2004-11-25 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-20070066615-A1 Heterocyclic compounds F2, SERPINC1, TFPI F10 12/4885F2 1/4885ABCB11 784/4885

“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.