SCHEMBL2013243

SCHEMBL2013243

CCOC(=O)COc1c(SCC)cc(C(=O)CNC(=O)OC(C)(C)C)cc1SCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 7/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TSHR P16473 2/20 0.36
KDM4E B2RXH2 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2C9 P11712 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 4/20 0.33
HPGD P15428 3/20 0.33
GAA P10253 2/20 0.33
NLRP3 Q96P20 2/20 0.33
MAPK1 P28482 1/20 0.33
PKM P14618 1/20 0.33
ALOX12 P18054 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL2007940 0.87 NPC1 (0.42) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL2012740 0.78 ALDH1A1 (0.38) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL2009819 0.78 ALDH1A1 (0.40) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL2008176 0.77 KMT2A (0.44) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL2011843 0.76 ALDH1A1 (0.40) NPC1RAB9AALDH1A1KMT2AKDM4E
SCHEMBL2007999 0.74 GAA (0.44) ALDH1A1MEN1KMT2ATSHRKDM4E
SCHEMBL2012183 0.73 HPGD (0.55) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL2013251 0.73 GAA (0.39) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL2011021 0.72 CASP7 (0.39) RAB9AALDH1A1MEN1KMT2ATSHR
SCHEMBL2011241 0.72 PDE5A (0.43) ALDH1A1MEN1KMT2ATSHRKDM4E

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 NPC1 4226/4885RAB9A 2816/4885ALDH1A1 2548/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 NPC1 4226/4885RAB9A 2816/4885ALDH1A1 2548/4885

“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.