SCHEMBL5629196

SCHEMBL5629196

NC(=O)[C@H](NC(=O)C1CCC1)C(=O)Nc1ccc(N2CCOCC2=O)c(C(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.43
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 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
SCHEMBL5626000 1.00 F10 (0.43) F10ALDH1A1HPGDTSHRCNR1
SCHEMBL5626669 0.96 F10 (0.46) F10ALDH1A1HPGDTSHR
SCHEMBL5628995 0.96 F10 (0.46) F10ALDH1A1HPGDTSHR
SCHEMBL5625703 0.90 F10 (0.52) F10ALDH1A1HPGDTSHR
SCHEMBL5628807 0.90 F10 (0.52) F10ALDH1A1HPGDTSHR
SCHEMBL5628278 0.89 F10 (0.42) F10ALDH1A1
SCHEMBL5628843 0.89 F10 (0.42) F10ALDH1A1
SCHEMBL5628279 0.89 F10 (0.42) F10
SCHEMBL5625379 0.89 F10 (0.42) F10
SCHEMBL5626485 0.88 F10 (0.46) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070179122-A1 Beta-Aminoacid-Derivatives As Factor Xa Inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-02 US disclosed
EP-1723164-A1 BETA-AMINOACID-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-11-22 EP disclosed
WO-2005095440-A1 BETA-AMINOACID-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-10-13 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-20070179122-A1 Beta-Aminoacid-Derivatives As Factor Xa Inhibitors F12, F11, F5 F10 9/4885ALDH1A1 2861/4885HPGD 2249/4885

“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.