SCHEMBL335191

SCHEMBL335191

CCN(CC)c1ccc(C(=O)NC(c2ccccc2C)C(O)C(=O)Nc2ccc3nc(N)[nH]c3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
DGAT1 O75907 1/20 0.40
IKBKB O14920 1/20 0.40
GBA1 P04062 1/20 0.38
CHEK2 O96017 1/20 0.38
CNR2 P34972 1/20 0.38
NR2E3 Q9Y5X4 2/20 0.38
TP53 P04637 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HCRTR1 O43613 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 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
SCHEMBL335555 0.92 MAPT (0.39) MAPTIKBKBNR2E3TP53LMNA
SCHEMBL335524 0.92 NR2E3 (0.43) MAPTDGAT1IKBKBCHEK2NR2E3
SCHEMBL335484 0.90 MAPT (0.43) MAPTIKBKBGBA1CHEK2CNR2
SCHEMBL335886 0.88 F7 (0.37) MAPTIKBKBCHEK2NR2E3KDM4E
SCHEMBL335968 0.87 MAPT (0.41) MAPTDGAT1IKBKBGBA1CNR2
SCHEMBL335959 0.86 MAPT (0.41) MAPTIKBKBCHEK2NR2E3TP53
SCHEMBL337002 0.86 MAPT (0.41) MAPTIKBKBGBA1CNR2NR2E3
SCHEMBL335303 0.85 MAPT (0.40) MAPTIKBKBGBA1LMNASMN1; SMN2
SCHEMBL336996 0.85 MEN1 (0.44) MAPTCHEK2CNR2TP53KDM4E
SCHEMBL336687 0.85 MAPT (0.39) MAPTDGAT1IKBKBCHEK2NR2E3

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 5 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
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 MAPT 3998/4885DGAT1 1853/4885IKBKB 230/4885

“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.