SCHEMBL5429285

SCHEMBL5429285

CN(CCN1CCS(O)(O)CC1)CC(CNC(=O)c1ccc(-n2ccccc2=O)cc1)NC(=O)c1ccc(Cl)s1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.60
F2 P00734 3/20 0.46
F11 P03951 2/20 0.45

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
SCHEMBL5438608 0.97 F10 (0.60) F10F2F11
SCHEMBL5429280 0.94 F10 (0.60) F10F2F11
SCHEMBL5446627 0.94 F10 (0.63) F10F2F11
SCHEMBL5438612 0.91 F10 (0.60) F10F2F11
SCHEMBL5442609 0.91 F10 (0.61) F10F2F11
SCHEMBL5433273 0.88 F10 (0.61) F10F2F11
SCHEMBL5434530 0.85 F10 (0.59) F10F2F11
SCHEMBL5442773 0.85 F10 (0.48) F10F2
SCHEMBL5440456 0.84 F10 (0.75) F10F2F11
SCHEMBL5443257 0.83 F10 (0.69) F10F2F11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129361-A1 LACTAM-CONTAINING DIAMINOALKYL, Beta-AMINOACIDS, Alpha-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-07 US claimed

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-20070129361-A1 LACTAM-CONTAINING DIAMINOALKYL, Beta-AMINOACIDS, Alpha-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS PEPD, XPNPEP1, METAP1 F10 46/4885F2 6/4885F11 5/4885

“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.