SCHEMBL5488439

SCHEMBL5488439

O=C(NC[C@H]1CN(c2ccc(N3CCCN(CCO)C3=O)cc2)C(=S)O1)c1ccc(Cl)s1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.62
F2 P00734 3/20 0.56
ABCB11 O95342 1/20 0.56
ST14 Q9Y5Y6 1/20 0.56

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
SCHEMBL2989816 0.85 F10 (0.74) F10
SCHEMBL3749919 0.85 F10 (0.70) F10
SCHEMBL8335927 0.84 F10 (0.66) F10F2ABCB11ST14
SCHEMBL3673841 0.84 F10 (0.67) F10F2
SCHEMBL5477734 0.82 F10 (0.66) F10F2ABCB11ST14
SCHEMBL3672018 0.82 F10 (0.69) F10
SCHEMBL5478295 0.80 F10 (0.85) F10F2ABCB11ST14
SCHEMBL76970 0.77 F10 (1.00) F10F2ABCB11ST14
SCHEMBL79284 0.77 F10 (1.00) F10F2ABCB11ST14
SCHEMBL77424 0.77 F10 (1.00) F10F2ABCB11ST14

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.