SCHEMBL336448

SCHEMBL336448

CSc1ccc(C(=O)NC(c2ccccc2)C(O)C(=O)Nc2ccc3nc(N)[nH]c3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYMS P04818 12/20 0.45
ABL1 P00519 1/20 0.42
FABP6 P51161 1/20 0.42
F9 P00740 1/20 0.40
F7 P08709 1/20 0.40
ACP1 P24666 1/20 0.40
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
DHFR P00374 2/20 0.39
FPGS Q05932 1/20 0.38

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
SCHEMBL335373 0.91 TYMS (0.43) TYMSABL1FABP6F9F7
SCHEMBL336367 0.90 MAPT (0.47) TYMSABL1FABP6F9F7
SCHEMBL335878 0.90 ABL1 (0.43) TYMSABL1FABP6F9F7
SCHEMBL335948 0.89 ABL1 (0.45) ABL1FABP6F9F7ACP1
SCHEMBL335376 0.89 PDE2A (0.45) TYMSABL1FABP6F9F7
SCHEMBL8219489 0.89 F9 (0.43) TYMSABL1FABP6F9F7
SCHEMBL334843 0.88 KDR (0.45) TYMSABL1FABP6F9F7
SCHEMBL335526 0.88 ABL1 (0.42) TYMSABL1FABP6F9F7
SCHEMBL335501 0.88 NPC1 (0.43) TYMSABL1FABP6F9F7
SCHEMBL335576 0.87 ABL1 (0.43) TYMSABL1FABP6F9F7

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 6 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
EP-2069289-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXa INHIBITORS Sanofi-Aventis (FR) 2009-06-17 EP claimed
WO-2008031509-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXa INHIBITORS SANOFI-AVENTIS (FR) 2008-03-20 WO claimed
EP-2069289-B1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXa INHIBITORS SANOFI SA (FR) 2013-10-02 EP 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-20090233949-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS TFPI, F2, F9 TYMS 1838/4885ABL1 2660/4885FABP6 3044/4885

“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.