SCHEMBL4567012

SCHEMBL4567012

CCCc1sc(COc2ccc(F)c(C(N)=O)c2F)nc1-c1ccc(CO)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 7/20 0.38
PTGDR2 Q9Y5Y4 6/20 0.38
HTT P42858 1/20 0.36
GAA P10253 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TNKS2 Q9H2K2 1/20 0.33
DCK P27707 1/20 0.33
PDE10A Q9Y233 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
SCHEMBL200864 0.89 PPARD (0.46) PPARDPTGDR2GAA
SCHEMBL4567011 0.86 PTGDR2 (0.37) PPARDPTGDR2
SCHEMBL2756232 0.78 PPARD (0.44) PPARDPTGDR2
SCHEMBL19471085 0.77 PPARD (0.45) PPARDPTGDR2HTTALDH1A1
SCHEMBL202573 0.77 PPARD (0.43) PPARDPTGDR2
SCHEMBL202491 0.77 PCSK9 (0.43) GAASMN1; SMN2TNKS2
SCHEMBL201488 0.77 NPC1 (0.43) SMN1; SMN2TNKS2
SCHEMBL2706104 0.76 PPARD (0.56) PPARD
SCHEMBL4567006 0.76 PPARD (0.36) PPARDPTGDR2
SCHEMBL16886207 0.76 PTGDR2 (0.35) PPARDPTGDR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150191420-A1 ANTIBACTERIAL AGENTS TAXIS PHARMACEUTICALS, INC. 2015-07-09 US disclosed
US-8865736-B2 Antibacterial agents Biota Scientific Pty Ltd (AU) 2014-10-21 US disclosed
US-20130072520-A2 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-03-21 US disclosed
US-20120122918-A1 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-05-17 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 (3 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-20120122918-A1 ANTIBACTERIAL AGENTS ALK, ROS1, ARG1 PPARD 3683/4885PTGDR2 2035/4885HTT 4308/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 PPARD 3689/4885PTGDR2 2116/4885HTT 4286/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 PPARD 3598/4885PTGDR2 1789/4885HTT 4291/4885

“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.