SCHEMBL2009908

SCHEMBL2009908

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

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 11/20 0.54
HDAC8 Q9BY41 3/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 2/20 0.51
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
BRD4 O60885 1/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL2010748 0.88 NPC1 (0.51) CREBBPHDAC8HDAC1HDAC6NPC1
SCHEMBL2009646 0.88 NPC1 (0.51) CREBBPHDAC8HDAC1HDAC6NPC1
SCHEMBL28506937 0.86 CREBBP (0.69) CREBBPHDAC8HDAC1HDAC6KMT2A
SCHEMBL2010422 0.83 KMT2A (0.66) CREBBPKMT2AMEN1ALDH1A1HPGD
SCHEMBL2439155 0.82 KMT2A (0.57) CREBBPKMT2ACYP1A2CYP2C9MEN1
SCHEMBL2012807 0.80 NPC1 (0.44) CREBBPHDAC8HDAC1HDAC6NPC1
SCHEMBL3877110 0.80 SMN1; SMN2 (0.63) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL2007531 0.80 ALDH1A1 (0.54) CREBBPKMT2AMEN1ALDH1A1HPGD
SCHEMBL7465120 0.80 KMT2A (0.78) CREBBPKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL2546079 0.80 CYP1A2 (0.63) CREBBPHDAC8HDAC1HDAC6NPC1

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 CREBBP 3449/4885HDAC8 4678/4885HDAC1 3447/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 CREBBP 3449/4885HDAC8 4678/4885HDAC1 3447/4885

“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.