SCHEMBL5440436

SCHEMBL5440436

CC(NC(=O)c1ccc(-n2ccncc2=O)cc1)C(=O)NS(=O)(=O)c1ccc2cc(Cl)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.40
KAT6A Q92794 1/20 0.38
PTGS1 P23219 3/20 0.37
PTGS2 P35354 3/20 0.37
EGFR P00533 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
SCHEMBL5431814 0.87 F10 (0.52) F10KAT6A
SCHEMBL5442030 0.85 F10 (0.41) F10
SCHEMBL5436888 0.82 F10 (0.40) F10KAT6APTGS1PTGS2EGFR
SCHEMBL5438162 0.80 F10 (0.40) F10
SCHEMBL5433476 0.80 F10 (0.41) F10
SCHEMBL5439159 0.80 F10 (0.50) F10
SCHEMBL5431735 0.78 F10 (0.48) F10
SCHEMBL5442213 0.77 S1PR4 (0.45) F10PTGS1PTGS2EGFR
SCHEMBL5432956 0.73 F10 (0.38) F10
SCHEMBL5433754 0.73 F10 (0.39) F10

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 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-20070129361-A1 LACTAM-CONTAINING DIAMINOALKYL, Beta-AMINOACIDS, Alpha-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS PEPD, XPNPEP1, METAP1 F10 46/4885KAT6A 4396/4885PTGS1 1274/4885

“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.