SCHEMBL2012899

SCHEMBL2012899

CCSc1cc(C(C)=O)c(O)c(SCC)c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NSD2 O96028 1/20 0.35
POLB P06746 1/20 0.35
MCL1 Q07820 1/20 0.35
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
PKM P14618 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSD17B1 P14061 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.31
ALOX15 P16050 2/20 0.31
ALOX12 P18054 1/20 0.31
MAPK1 P28482 1/20 0.31
TP53 P04637 1/20 0.30

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
SCHEMBL2008874 0.75 HPGD (0.45) GAAMEN1KMT2AMAPTKDM4E
SCHEMBL2011331 0.74 CA5A (0.45) GAAMEN1KMT2AKDM4EPOLB
SCHEMBL2010317 0.74 ALDH1A1 (0.39) GAAMEN1KMT2AMAPTKDM4E
SCHEMBL10890725 0.72
SCHEMBL4436794 0.67 HSD17B10 (0.54) KMT2AMAPTKDM4EPOLBALDH1A1
SCHEMBL24490704 0.67 GAA (0.40) GAAMEN1KMT2AMAPTKDM4E
SCHEMBL21950999 0.67 ALDH1A1 (0.37) GAAMAPTKDM4EALDH1A1HPGD
SCHEMBL12514051 0.67 L3MBTL1 (0.41) MEN1KMT2AMAPTKDM4EPOLB
SCHEMBL18753603 0.67 GAA (0.40) GAAMEN1KMT2AMAPTKDM4E
SCHEMBL30969147 0.66 PTPRC (0.43) GAAMAPTALDH1A1HPGDPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964628-B2 Fibrinogen receptor antagonists and their use PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-06-21 US disclosed
US-20100256161-A1 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-10-07 US disclosed
US-7759387-B2 Fibrinogen receptor antagonists and their use PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-07-20 US disclosed
US-20070021489-A1 Fibrinogen receptor antagonists and their use NICHOLAS PIRAMAL INDIA LIMITED (IN) 2007-01-25 US disclosed
EP-1677783-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE Nicholas Piramal India Limited (IN) 2006-07-12 EP disclosed
WO-2005035495-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE NICHOLAS PIRAMAL INDIA LIMITED (IN) 2005-04-21 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 (2 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-20100256161-A1 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE FGB, F13B, F2 GAA 3340/4885MEN1 4472/4885KMT2A 4561/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 GAA 3340/4885MEN1 4472/4885KMT2A 4561/4885

“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.