SCHEMBL2010396

SCHEMBL2010396

CCSc1cc(C(C)=O)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.51
POLB P06746 1/20 0.49
HSD17B1 P14061 3/20 0.47
HTT P42858 2/20 0.46
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 2/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CREBBP Q92793 1/20 0.39
CRHR1 P34998 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39

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
SCHEMBL9175921 0.86 PKM (0.47) PKMPOLBHSD17B1HTTKMT2A
SCHEMBL9644635 0.83 PTGS2 (0.47) PKMPOLBHSD17B1HTTKMT2A
SCHEMBL1545562 0.79 PKM (0.52) PKMPOLBHSD17B1HTTKMT2A
SCHEMBL2011331 0.79 CA5A (0.45) PKMPOLBHSD17B1HTTKMT2A
SCHEMBL10360994 0.79 PKM (0.43) PKMPOLBHTTKMT2AALDH1A1
SCHEMBL27858526 0.78 PKM (0.50) PKMPOLBHSD17B1HTTKMT2A
SCHEMBL2008874 0.76 HPGD (0.45) HSD17B1HTTKMT2AKDM4EALDH1A1
SCHEMBL9113084 0.74 PKM (0.46) PKMPOLBHSD17B1HTTKMT2A
SCHEMBL9174860 0.73 PTGS2 (0.48) KDM4EALDH1A1CREBBPRAB9AGAA
SCHEMBL10888353 0.73 MEN1 (0.38) HTTKMT2AKDM4EALDH1A1LMNA

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 7 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
US-5113019-A PROCESS FOR PHENOL ALKYLTHIOLATION AND ITS APPLICATION TO THE SYNTHESIS OF 4-ACYL-2-ALKYLTHIOPHENOLS SOCIETE NATIONALE ELF AQUITAINE (PRODUCTION) (FR) 1992-05-12 US 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 PKM 3583/4885POLB 3689/4885HSD17B1 3699/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 PKM 3583/4885POLB 3689/4885HSD17B1 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.