SCHEMBL3882840

SCHEMBL3882840

COC(=O)CCc1ccc(OC(C)c2ccccc2)c(-c2ccc3[nH]ccc3c2)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.45
ENPP2 Q13822 1/20 0.43
MET P08581 1/20 0.43
PTGS2 P35354 1/20 0.41
CTSK P43235 3/20 0.40
CTSS P25774 1/20 0.40
KMT2A Q03164 1/20 0.40
FFAR1 O14842 1/20 0.40
FEN1 P39748 2/20 0.37
CTNNB1 P35222 1/20 0.37
WNT3A P56704 1/20 0.37
EPHX1 P07099 1/20 0.37
CYP2D6 P10635 1/20 0.37
EPHX2 P34913 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
FFAR4 Q5NUL3 2/20 0.36
NPC1 O15118 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
SCHEMBL3880630 0.92 FFAR1 (0.49) ENPP2METPTGS2CTSKCTSS
SCHEMBL3883307 0.86 PTGS2 (0.42) PTPN1ENPP2METPTGS2CTSK
SCHEMBL3881998 0.85 ENPP2 (0.53) PTPN1ENPP2FFAR1FFAR4
SCHEMBL3881133 0.84 ENPP2 (0.53) PTPN1ENPP2FFAR1EPHX1CYP2D6
SCHEMBL27627113 0.84 ENPP2 (0.48) PTPN1ENPP2CTNNB1WNT3AEPHX1
SCHEMBL3882839 0.84 PTGS2 (0.46) ENPP2METPTGS2CTSKCTSS
SCHEMBL3883626 0.83 ENPP2 (0.45) PTPN1ENPP2CTNNB1WNT3AEPHX1
SCHEMBL3886545 0.83 PTGS2 (0.40) PTPN1ENPP2METPTGS2CTSK
SCHEMBL3895523 0.82 PTPN1 (0.40) PTPN1ENPP2PTGS2FEN1
SCHEMBL3886299 0.82 FFAR4 (0.46) PTPN1ENPP2FFAR1FFAR4

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 12 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
CN-100387576-C Substituted phenylalkanoic acid derivatives and use thereof ASAHI CHEMICAL IND (JP) 2008-05-14 CN claimed
CN-1653032-A Substituted phenylalkanoic acid derivatives and use thereof ASAHI CHEMICAL IND (JP) 2005-08-10 CN claimed
US-6867320-B2 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2005-03-15 US claimed
EP-1477472-A1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2004-11-17 EP 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
CN-100387576-C Substituted phenylalkanoic acid derivatives and use thereof ASAHI CHEMICAL IND (JP) 2008-05-14 CN disclosed
CN-1653032-A Substituted phenylalkanoic acid derivatives and use thereof ASAHI CHEMICAL IND (JP) 2005-08-10 CN 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 PTPN1 1292/4885ENPP2 333/4885MET 4450/4885

“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.