SCHEMBL2012596

SCHEMBL2012596

CCOC(=O)COc1ccc(C(=O)CBr)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
CASP1 P29466 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GAA P10253 2/20 0.45
PKM P14618 1/20 0.45
MAPK1 P28482 1/20 0.45
ADRB3 P13945 2/20 0.44
TSHR P16473 2/20 0.44
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL11112485 0.89 ALDH1A1 (0.53) ALDH1A1L3MBTL1TDP1MEN1KMT2A
SCHEMBL2009931 0.88 ALDH1A1 (0.50) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL2011344 0.87 ALDH1A1 (0.51) ALDH1A1L3MBTL1TDP1MEN1KMT2A
Bromide SCHEMBL5787146 0.86 ALDH1A1 (0.49) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL7328604 0.86 ESR1 (0.52) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL6812575 0.85 NPSR1 (0.49) ALDH1A1L3MBTL1MEN1KMT2ANPSR1
SCHEMBL6813482 0.85 L3MBTL1 (0.52) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL6812958 0.85 ALDH1A1 (0.45) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL6809954 0.85 GAA (0.50) ALDH1A1L3MBTL1TDP1MEN1KMT2A
SCHEMBL2007531 0.85 ALDH1A1 (0.54) ALDH1A1L3MBTL1TDP1MEN1KMT2A

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 ALDH1A1 2548/4885L3MBTL1 4640/4885TDP1 3983/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 ALDH1A1 2548/4885L3MBTL1 4640/4885TDP1 3983/4885

“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.