SCHEMBL5429282

SCHEMBL5429282

Cc1ccc2cc(S(=O)(=O)NC(=O)C(NC(=O)c3ccc(-n4ccccc4=O)cc3)c3ccccc3)sc2c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.40
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
F2 P00734 1/20 0.35
F11 P03951 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL5437004 0.90 F10 (0.51) F10S1PR3
SCHEMBL5440082 0.88 F10 (0.42) F10F2F11TP53
SCHEMBL5434723 0.85 F10 (0.38) F10S1PR1S1PR3F2F11
SCHEMBL5443277 0.84 F10 (0.46) F10F2F11
SCHEMBL5428344 0.83 CYP1A2 (0.49) F10LMNA
SCHEMBL5443261 0.80 F10 (0.41) F10S1PR1S1PR3
SCHEMBL5429036 0.80 F10 (0.51) F10F2F11
SCHEMBL5443269 0.80 F10 (0.52) F10
SCHEMBL5436927 0.76 F10 (0.37) F10LMNATP53
SCHEMBL5433265 0.75 F10 (0.55) F10S1PR3

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 46/4885S1PR1 3564/4885S1PR3 4385/4885

“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.