SCHEMBL335848

SCHEMBL335848

CCN(CC)c1ccc(C(=O)NC(c2ccc(C(F)(F)F)cc2)C(O)C(=O)Nc2ccc3nc(N)[nH]c3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.42
KDR P35968 1/20 0.42
TEK Q02763 1/20 0.42
PDE2A O00408 4/20 0.40
MAPT P10636 2/20 0.39
F9 P00740 1/20 0.38
F7 P08709 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IKBKB O14920 1/20 0.38
ESRRG P62508 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
SCHEMBL337002 0.91 MAPT (0.41) MAPTF9F7SMN1; SMN2IKBKB
SCHEMBL335484 0.91 MAPT (0.43) MAPTF9F7SMN1; SMN2IKBKB
SCHEMBL335303 0.89 MAPT (0.40) MCHR1KDRTEKMAPTF9
SCHEMBL335326 0.89 PDE2A (0.44) MCHR1KDRTEKPDE2AMAPT
SCHEMBL335283 0.87 MAPT (0.37) MCHR1KDRTEKPDE2AMAPT
SCHEMBL335968 0.86 MAPT (0.41) MAPTF9F7SMN1; SMN2IKBKB
SCHEMBL336083 0.86 F9 (0.41) MAPTF9F7SMN1; SMN2IKBKB
SCHEMBL336687 0.85 MAPT (0.39) MAPTF9F7SMN1; SMN2IKBKB
SCHEMBL335959 0.85 MAPT (0.41) MAPTF9F7SMN1; SMN2IKBKB
SCHEMBL335375 0.85 KIT (0.45) MCHR1MAPTSMN1; SMN2ESRRG

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
EP-2069289-B1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXa INHIBITORS SANOFI SA (FR) 2013-10-02 EP claimed
US-8097758-B2 Isoserine derivatives for use as coagulation factor IXa inhibitors SANOFI-AVENTIS (FR) 2012-01-17 US claimed
US-20090233949-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS SANOFI-AVENTIS (FR) 2009-09-17 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-20090233949-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS TFPI, F2, F9 MCHR1 4867/4885KDR 4305/4885TEK 4357/4885

“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.