SCHEMBL3882711

SCHEMBL3882711

O=C(O)CCc1ccc(OCCc2ccccc2F)c(-c2ccc3[nH]ncc3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 5/20 0.47
▸ TRPA1 O75762 4/20 0.47
▸ FFAR1 O14842 4/20 0.44
▸ ROCK2 O75116 1/20 0.42
▸ PAK4 O96013 1/20 0.42
▸ PIM1 P11309 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ TP53 P04637 3/20 0.41
▸ MDM2 Q00987 3/20 0.41
▸ CTNNB1 P35222 1/20 0.41
▸ WNT3A P56704 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CDC7 O00311 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ LTB4R Q15722 1/20 0.39
▸ LTB4R2 Q9NPC1 1/20 0.39

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
SCHEMBL3880614 0.92 FFAR4 (0.48) FFAR4TRPA1FFAR1ROCK2PAK4
SCHEMBL3882548 0.91 TRPA1 (0.45) TRPA1ROCK2PAK4PIM1GSK3B
SCHEMBL3884433 0.90 TRPA1 (0.47) FFAR4TRPA1FFAR1ROCK2PIM1
SCHEMBL3884095 0.90 TRPA1 (0.47) FFAR4TRPA1FFAR1TP53MDM2
SCHEMBL27627114 0.89 FFAR1 (0.46) FFAR4TRPA1FFAR1ROCK2GSK3B
SCHEMBL3884927 0.89 TRPA1 (0.49) FFAR4TRPA1FFAR1CTNNB1WNT3A
SCHEMBL3880425 0.89 TRPA1 (0.47) FFAR4TRPA1FFAR1ROCK2PAK4
SCHEMBL3883753 0.88 TP53 (0.46) FFAR4TRPA1FFAR1ROCK2GSK3B
SCHEMBL3885123 0.87 TP53 (0.45) FFAR4TRPA1FFAR1ROCK2PIM1
SCHEMBL3885388 0.86 FFAR4 (0.49) FFAR4FFAR1TP53MDM2LTB4R

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 115/4885TRPA1 135/4885FFAR1 13/4885

“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.

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