SCHEMBL3891019

SCHEMBL3891019

COC(=O)CCc1ccc(OCc2cc(Cl)cc(Cl)c2)c(-c2ccc3[nH]ccc3c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.40
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
PTPN1 P18031 1/20 0.38
MAP3K11 Q16584 4/20 0.38
C5AR1 P21730 1/20 0.38
HDAC1 Q13547 3/20 0.37
HDAC2 Q92769 2/20 0.37
MAOB P27338 1/20 0.37
BRD4 O60885 1/20 0.37
CDK1 P06493 2/20 0.36
HDAC8 Q9BY41 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 2/20 0.36
TP53 P04637 1/20 0.36
MDM2 Q00987 1/20 0.36
ABL1 P00519 2/20 0.36
SRC P12931 2/20 0.36
SGK1 O00141 1/20 0.36
IKBKB O14920 1/20 0.36

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
SCHEMBL3887874 0.93 ENPP2 (0.43) ENPP2FFAR1PTPN1MAP3K11C5AR1
SCHEMBL3881183 0.92 FFAR4 (0.49) ENPP2FFAR1FFAR4PTPN1C5AR1
SCHEMBL3882816 0.90 MAOB (0.45) ENPP2FFAR1FFAR4PTPN1MAP3K11
SCHEMBL3881714 0.90 FFAR4 (0.47) ENPP2FFAR1FFAR4PTPN1MAP3K11
SCHEMBL3881986 0.89 FFAR1 (0.47) ENPP2FFAR1FFAR4TP53MDM2
SCHEMBL3681761 0.89 ENPP2 (0.44) ENPP2FFAR1FFAR4PTPN1MAP3K11
SCHEMBL3881998 0.89 ENPP2 (0.53) ENPP2FFAR1FFAR4PTPN1C5AR1
SCHEMBL3883670 0.88 ENPP2 (0.40) ENPP2FFAR1PTPN1MAP3K11HDAC1
SCHEMBL3881133 0.88 ENPP2 (0.53) ENPP2FFAR1FFAR4PTPN1MAP3K11
SCHEMBL3883267 0.88 CNR2 (0.44) ENPP2FFAR1FFAR4PTPN1MAP3K11

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
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP claimed
US-6867320-B2 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2005-03-15 US claimed
US-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2004-03-04 US 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
EP-1477472-A1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2004-11-17 EP 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 ENPP2 333/4885FFAR1 13/4885FFAR4 115/4885

“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.