SCHEMBL335985

SCHEMBL335985

N[C@@H](c1ccco1)[C@@H](O)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
POLB P06746 2/20 0.60
PTPN1 P18031 2/20 0.60
PKM P14618 1/20 0.60
PTPN7 P35236 1/20 0.60
BLM P54132 1/20 0.60
ESR2 Q92731 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
MEN1 O00255 2/20 0.46
AGTR1 P30556 1/20 0.46
CYP2C19 P33261 2/20 0.45
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALOX5 P09917 2/20 0.42
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41

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
SCHEMBL15291349 0.78 KMT2A (0.62) KMT2APOLBPTPN1PKMPTPN7
SCHEMBL15049401 0.78 KMT2A (0.61) KMT2APOLBPTPN1PKMPTPN7
SCHEMBL2455073 0.78 KMT2A (0.61) KMT2APOLBPTPN1PKMPTPN7
SCHEMBL29950772 0.78 KMT2A (0.61) KMT2APOLBPTPN1PKMPTPN7
SCHEMBL2454069 0.77 KMT2A (0.60) KMT2APOLBPTPN1PKMPTPN7
SCHEMBL2454068 0.77 KMT2A (0.60) KMT2APOLBPTPN1PKMPTPN7
SCHEMBL24017109 0.76 KMT2A (0.44) KMT2APOLBPTPN1PKMPTPN7
SCHEMBL24017104 0.76 KMT2A (0.44) KMT2APOLBPTPN1PKMPTPN7
SCHEMBL10430343 0.75 KMT2A (1.00) KMT2APOLBPTPN1PKMPTPN7
SCHEMBL10430342 0.75 KMT2A (1.00) KMT2APOLBPTPN1PKMPTPN7

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 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-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 KMT2A 3783/4885POLB 3780/4885PTPN1 2959/4885

“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.