SCHEMBL335326

SCHEMBL335326

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 7/20 0.44
KDR P35968 1/20 0.43
TEK Q02763 1/20 0.43
MCHR1 Q99705 5/20 0.43
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
ESR1 P03372 1/20 0.39
F9 P00740 1/20 0.39
F7 P08709 1/20 0.39
ACP1 P24666 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39

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
SCHEMBL336353 0.94 MAPT (0.43) MAPTSMN1; SMN2ABL1F9F7
SCHEMBL335878 0.91 ABL1 (0.43) MCHR1MAPTSMN1; SMN2ABL1F9
SCHEMBL335904 0.89 MAPT (0.40) KDRTEKMCHR1MAPTSMN1; SMN2
SCHEMBL335848 0.89 MCHR1 (0.42) PDE2AKDRTEKMCHR1MAPT
SCHEMBL335866 0.86 PDE2A (0.39) PDE2AKDRTEKMAPTSMN1; SMN2
SCHEMBL337002 0.86 MAPT (0.41) MAPTSMN1; SMN2F9F7HDAC3
SCHEMBL335874 0.86 MAPT (0.39) MAPTSMN1; SMN2ABL1F9F7
SCHEMBL335611 0.86 F9 (0.42) MAPTSMN1; SMN2F9F7HDAC3
SCHEMBL335616 0.85 NR2E3 (0.38) KDRTEKMAPTSMN1; SMN2ABL1
SCHEMBL8219489 0.84 F9 (0.43) MAPTSMN1; SMN2ABL1F9F7

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 8 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
CN-101516834-A Isoserine derivatives for use as coagulation factor ixa inhibitors SANOFI AVENTIS (FR) 2009-08-26 CN 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
CN-1359423-A Herbicide resistant plants HINZENTA CO LTD (GB) 2002-07-17 CN 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 PDE2A 2265/4885KDR 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.