SCHEMBL2011331

SCHEMBL2011331

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.45
LMNA P02545 2/20 0.42
HSD17B1 P14061 2/20 0.40
PKM P14618 1/20 0.39
POLB P06746 1/20 0.38
KMT2A Q03164 4/20 0.35
MEN1 O00255 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
BACE1 P56817 1/20 0.35
NOD2 Q9HC29 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
HTT P42858 2/20 0.35
HPGD P15428 2/20 0.33
PRKCI P41743 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
CRHR1 P34998 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL2010396 0.79 PKM (0.51) LMNAHSD17B1PKMPOLBKMT2A
SCHEMBL9175921 0.76 PKM (0.47) LMNAHSD17B1PKMPOLBKMT2A
SCHEMBL2012899 0.74 GAA (0.36) HSD17B1PKMPOLBKMT2AMEN1
SCHEMBL10889134 0.74 PTGS2 (0.33)
SCHEMBL2008874 0.73 HPGD (0.45) LMNAHSD17B1KMT2AMEN1HTT
SCHEMBL10883977 0.72 SHBG (0.41)
SCHEMBL10360994 0.72 PKM (0.43) LMNAPKMPOLBKMT2AMEN1
SCHEMBL5784438 0.71 ALDH1A1 (0.32) KDM4EALDH1A1
SCHEMBL10888990 0.69 ALOX15 (0.46) HTTHPGDALDH1A1CYP3A4CYP2C19
SCHEMBL15128582 0.69 HSD17B1 (0.49) CA5ALMNAHSD17B1PKMPOLB

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 CA5A 4590/4885LMNA 2984/4885HSD17B1 3699/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 CA5A 4590/4885LMNA 2984/4885HSD17B1 3699/4885

“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.