SCHEMBL4044752

SCHEMBL4044752

CC(=C1SC(=O)NC1=O)c1ccc(OCCOc2c(-c3ccc(F)c(F)c3)n(C)c3ccccc3c2=O)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.37
PLA2G2A P14555 1/20 0.34
PKM P14618 1/20 0.33
BRD4 O60885 3/20 0.31
MEN1 O00255 1/20 0.31
PLA2G1B P04054 1/20 0.31
HSP90AA1 P07900 1/20 0.31
KMT2A Q03164 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
TP53 P04637 1/20 0.30

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
SCHEMBL4046139 1.00 L3MBTL1 (0.37) L3MBTL1PLA2G2APKMBRD4MEN1
SCHEMBL4044326 0.93 L3MBTL1 (0.37) L3MBTL1PLA2G2APKMBRD4
SCHEMBL14011579 0.93 L3MBTL1 (0.37) L3MBTL1PLA2G2APKMBRD4
SCHEMBL4039778 0.93 L3MBTL1 (0.37) L3MBTL1PLA2G2APKMBRD4
SCHEMBL5044658 0.93 BRD4 (0.36) L3MBTL1PLA2G2APKMBRD4
SCHEMBL5044656 0.93 BRD4 (0.36) L3MBTL1PLA2G2APKMBRD4
SCHEMBL4045700 0.91 PKM (0.34) L3MBTL1PKMKMT2ATP53
SCHEMBL4045702 0.91 PKM (0.34) L3MBTL1PKMKMT2ATP53
SCHEMBL5046052 0.89 GSK3B (0.35) L3MBTL1PKM
SCHEMBL5046051 0.89 GSK3B (0.35) L3MBTL1PKM

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
EP-1678157-A4 HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THEREOF REDDY US THERAPEUTICS INC (US) 2009-03-18 EP disclosed
EP-1463728-B1 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-01-14 EP disclosed
US-7456288-B2 Heterocyclic compounds and methods of making and using thereof REDDY US THERAPEUTICS, INC. (US) 2008-11-25 US disclosed
EP-1678157-A2 HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THEREOF Reddy US Therapeutics, Inc. (US) 2006-07-12 EP disclosed
US-20050119269-A1 Heterocyclic compounds and methods of making and using thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-06-02 US disclosed
WO-2005042712-A2 HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THEREOF REDDY US THERAPEUTICS, INC. (US) 2005-05-12 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 (1 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-20050119269-A1 Heterocyclic compounds and methods of making and using thereof PYGM, MYLK, HMOX1 L3MBTL1 4807/4885PLA2G2A 2318/4885PKM 446/4885

“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.