SCHEMBL10165205

SCHEMBL10165205

CCN(CC)c1ccc(C(=O)N[C@@H](c2ccco2)[C@@H](O)C(=O)Nc2ccc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nccc3c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
TP53 P04637 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
ESRRG P62508 1/20 0.35
GRM4 Q14833 4/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPK1 P28482 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 2/20 0.34
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL335167 0.84 F9 (0.44) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL12313709 0.77 F9 (0.39) MAPTSMN1; SMN2NPC1RAB9AGRM4
SCHEMBL336042 0.74 F9 (0.48) MAPTSMN1; SMN2ESRRGHTR2CHTR2B
SCHEMBL335293 0.74 F9 (0.48) MAPTSMN1; SMN2ESRRGHTR2CHTR2B
SCHEMBL335345 0.73 RAB9A (0.52) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL1947514 0.72 GRM4 (0.34) GRM4F9
SCHEMBL335988 0.72 F9 (0.44) MAPTESRRGALDH1A1LMNAKMT2A
SCHEMBL336152 0.72 F9 (0.46) MAPTESRRGF9
SCHEMBL335885 0.72 F9 (0.43) MAPTSMN1; SMN2ESRRGALDH1A1LMNA
SCHEMBL335731 0.72 F9 (0.47) MAPTESRRGF9

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 4 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-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

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 3998/4885SMN1; SMN2 4382/4885NPC1 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.