SCHEMBL5433346

SCHEMBL5433346

CN(CCN1CCS(=O)(=O)CC1)CC(CC(=O)Nc1ccc(Cl)cc1)NC(=O)c1ccc(-n2ccccc2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.44
EPHX2 P34913 1/20 0.43
TP53 P04637 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL5433340 0.94 F10 (0.44) F10EPHX2TP53
SCHEMBL5443242 0.94 F10 (0.46) F10TP53
SCHEMBL5440542 0.90 F10 (0.44) F10EPHX2KDM4EALDH1A1RAB9A
SCHEMBL5436624 0.89 F10 (0.47) F10
SCHEMBL5436722 0.85 F10 (0.45) F10EPHX2
SCHEMBL5428310 0.85 F10 (0.44) F10EPHX2ALDH1A1MAPT
SCHEMBL5436620 0.84 F10 (0.48) F10
SCHEMBL5429256 0.83 F10 (0.54) F10
SCHEMBL5438465 0.83 F10 (0.49) F10ALDH1A1
SCHEMBL5436771 0.81 F10 (0.47) F10TP53ALDH1A1MAPT

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 2 patents. 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
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 46/4885EPHX2 2924/4885TP53 3513/4885

“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.