SCHEMBL3884534

SCHEMBL3884534

CC(CC(=O)O)c1ccc(OCC2CCCC2)c(-c2ccc3sc(N)nc3c2)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.37
FFAR1 O14842 1/20 0.37
MAP4K4 O95819 1/20 0.36
ACACA Q13085 1/20 0.36
FTO Q9C0B1 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
C5AR1 P21730 1/20 0.36
KMO O15229 2/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
CTSA P10619 1/20 0.35
APP P05067 1/20 0.35
KEAP1 Q14145 2/20 0.34
NFE2L2 Q16236 2/20 0.34
PTGER1 P34995 1/20 0.34

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
SCHEMBL3884531 0.83 MAP4K4 (0.36) XDHMAP4K4FTONOS3NOS1
SCHEMBL3688493 0.82 S1PR1 (0.46) XDHMAP4K4FTONOS3NOS1
SCHEMBL6398838 0.81 MAP4K4 (0.39) XDHMAP4K4FTONOS3NOS1
SCHEMBL3681906 0.78 S1PR1 (0.39) MAP4K4FTONOS3NOS1C5AR1
SCHEMBL3884291 0.76 CYP1A2 (0.40) XDHC5AR1
SCHEMBL3882781 0.75 S1PR1 (0.46) MAP4K4
SCHEMBL3882657 0.74 S1PR1 (0.45) XDHMAP4K4C5AR1
SCHEMBL3887136 0.73 PDE4B (0.40) XDHKMOKEAP1NFE2L2
SCHEMBL3884992 0.73 PPARG (0.40)
SCHEMBL3680931 0.73 S1PR1 (0.49) XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP disclosed
US-6867320-B2 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2005-03-15 US disclosed
US-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2004-03-04 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 (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-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof PTGER1, CYSLTR1, PTGS1 XDH 3845/4885FFAR1 13/4885MAP4K4 2291/4885

“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.