SCHEMBL335306

SCHEMBL335306

CCN(CC)c1ccc(C(=O)N[C@@H](c2ccco2)[C@@H](O)C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.53
MAPT P10636 6/20 0.50
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
TP53 P04637 1/20 0.50
ALDH1A1 P00352 5/20 0.45
KMT2A Q03164 4/20 0.45
LMNA P02545 3/20 0.45
GAA P10253 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
MEN1 O00255 2/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HTT P42858 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MCL1 Q07820 1/20 0.43

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
SCHEMBL4115046 0.74 L3MBTL1 (0.53) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL335542 0.71 POLB (0.46) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL15064495 0.70 CNR2 (1.00) CNR2NPC1RAB9AALDH1A1KMT2A
SCHEMBL14210968 0.69 ALDH1A1 (0.47) MAPTALDH1A1KMT2ALMNAGAA
SCHEMBL704651 0.69 TAS1R3 (0.65) CNR2MAPTALDH1A1LMNAGAA
SCHEMBL335897 0.69 CNR2 (0.50) CNR2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3680858 0.68 KMT2A (0.71) CNR2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL15819414 0.68 HDAC1 (0.52) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL2348328 0.68 CTSS (0.47) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13226379 0.67 MAPT (0.59) CNR2MAPTNPC1RAB9ATP53

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097758-B2 Isoserine derivatives for use as coagulation factor IXa inhibitors SANOFI-AVENTIS (FR) 2012-01-17 US disclosed
US-8097758-B2 Isoserine derivatives for use as coagulation factor IXa inhibitors SANOFI-AVENTIS (FR) 2012-01-17 US disclosed
US-8097758-B2 Isoserine derivatives for use as coagulation factor IXa inhibitors SANOFI-AVENTIS (FR) 2012-01-17 US disclosed
US-20090233949-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS SANOFI-AVENTIS (FR) 2009-09-17 US disclosed
US-20090233949-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS SANOFI-AVENTIS (FR) 2009-09-17 US disclosed
US-20090233949-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS SANOFI-AVENTIS (FR) 2009-09-17 US disclosed
WO-2008031509-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXa INHIBITORS SANOFI-AVENTIS (FR) 2008-03-20 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-20090233949-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS TFPI, F2, F9 CNR2 3688/4885MAPT 3998/4885NPC1 2621/4885

“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.