SCHEMBL3884531

SCHEMBL3884531

CC(Cc1ccc(OCC2CCCC2)c(-c2ccc3sc(N)nc3c2)c1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.36
FTO Q9C0B1 1/20 0.36
SRC P12931 6/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
C5AR1 P21730 1/20 0.36
YES1 P07947 1/20 0.36
KMO O15229 1/20 0.35
XDH P47989 2/20 0.35
PPARG P37231 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
P2RX3 P56373 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL3884291 0.92 CYP1A2 (0.40) SRCC5AR1YES1XDHCYP1A2
SCHEMBL3887136 0.91 PDE4B (0.40) KMOXDHP2RX3
SCHEMBL3688493 0.85 S1PR1 (0.46) MAP4K4FTONOS3NOS1C5AR1
SCHEMBL3884992 0.83 PPARG (0.40) PPARGCYP1A2
SCHEMBL3884534 0.83 XDH (0.37) MAP4K4FTONOS3NOS1C5AR1
SCHEMBL3681906 0.83 S1PR1 (0.39) MAP4K4FTONOS3NOS1C5AR1
SCHEMBL3882568 0.82 MDM2 (0.38) SRCC5AR1YES1XDHPPARG
SCHEMBL3883892 0.82 SRC (0.40) MAP4K4SRCC5AR1YES1XDH
SCHEMBL3882380 0.81 C5AR1 (0.38) MAP4K4SRCC5AR1YES1XDH
SCHEMBL6398838 0.81 MAP4K4 (0.39) MAP4K4FTONOS3NOS1C5AR1

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
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP claimed
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 MAP4K4 2291/4885FTO 3820/4885SRC 3603/4885

“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.