SCHEMBL2012807

SCHEMBL2012807

CCOC(=O)COc1ccc(C(=O)CNC(=O)OC(C)(C)C)cc1NC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
MAPK1 P28482 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
NLRP3 Q96P20 1/20 0.38
HDAC8 Q9BY41 2/20 0.38
LMNA P02545 1/20 0.38
CREBBP Q92793 4/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ESR1 P03372 1/20 0.36

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
SCHEMBL2008176 0.87 KMT2A (0.44) MAPK1ALDH1A1MEN1KMT2AGAA
SCHEMBL2007999 0.85 GAA (0.44) MAPK1CYP2C19SMN1; SMN2LMNAALDH1A1
SCHEMBL2013251 0.83 GAA (0.39) NPC1RAB9AMAPK1SMN1; SMN2NLRP3
SCHEMBL2007940 0.82 NPC1 (0.42) NPC1RAB9AMAPK1SMN1; SMN2NLRP3
SCHEMBL2009646 0.81 NPC1 (0.51) NPC1RAB9AMAPK1CYP1A2CYP2C9
SCHEMBL2010748 0.81 NPC1 (0.51) NPC1RAB9AMAPK1CYP1A2CYP2C9
SCHEMBL2009908 0.80 CREBBP (0.54) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL2010623 0.78 MAPK1 (0.36) MAPK1LMNAALDH1A1MEN1KMT2A
SCHEMBL2014829 0.76 L3MBTL1 (0.44) SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL2012428 0.76 HPGD (0.45) MAPK1CYP1A2CYP2C9CYP2C19SMN1; SMN2

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 2816/4885MAPK1 3196/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 NPC1 4226/4885RAB9A 2816/4885MAPK1 3196/4885

“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.