SCHEMBL3884804

SCHEMBL3884804

O=C(O)CCc1ccc(OCCSc2ccccc2)c(-c2ccc3[nH]ccc3c2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 6/20 0.44
ENPP2 Q13822 1/20 0.43
LTB4R Q15722 1/20 0.42
FFAR1 O14842 8/20 0.39
NPC1 O15118 1/20 0.38
CTNNB1 P35222 1/20 0.38
WNT3A P56704 1/20 0.38
PTGER1 P34995 1/20 0.37
PTGER4 P35408 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37
TP53 P04637 2/20 0.37
MDM2 Q00987 2/20 0.37

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
SCHEMBL3881612 0.91 ENPP2 (0.43) FFAR4ENPP2LTB4RNPC1CTNNB1
SCHEMBL27607994 0.88 ENPP2 (0.48) FFAR4ENPP2LTB4RFFAR1NPC1
SCHEMBL3882776 0.87 FFAR1 (0.49) FFAR4ENPP2LTB4RFFAR1NPC1
SCHEMBL3886458 0.87 FFAR4 (0.52) FFAR4ENPP2LTB4RFFAR1PTGER1
SCHEMBL3881410 0.85 FFAR4 (0.53) FFAR4ENPP2LTB4RFFAR1
SCHEMBL3882284 0.85 FFAR1 (0.55) FFAR4ENPP2FFAR1PTGER1PTGER4
SCHEMBL3883503 0.85 S1PR1 (0.47) FFAR4ENPP2LTB4RFFAR1TP53
SCHEMBL3881608 0.85 PTGS2 (0.42) ENPP2NPC1PTGER1PTGER4PTGER3
SCHEMBL3883487 0.85 FFAR1 (0.48) FFAR4ENPP2LTB4RFFAR1PTGER1
SCHEMBL3884915 0.84 ENPP2 (0.53) FFAR4ENPP2FFAR1NPC1PTGER1

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 8 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
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
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 FFAR4 115/4885ENPP2 333/4885LTB4R 7/4885

“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.