SCHEMBL3880425

SCHEMBL3880425

O=C(O)CCc1cc(F)c(OCCc2ccccc2F)c(-c2ccc3[nH]ncc3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 6/20 0.47
GSK3B P49841 2/20 0.42
ROCK2 O75116 1/20 0.42
PAK4 O96013 1/20 0.42
PIM1 P11309 1/20 0.42
AURKB Q96GD4 1/20 0.42
FFAR4 Q5NUL3 3/20 0.41
CTNNB1 P35222 2/20 0.41
WNT3A P56704 2/20 0.41
FFAR1 O14842 3/20 0.41
CDC7 O00311 2/20 0.39
GRIN2B Q13224 1/20 0.39
DYRK3 O43781 1/20 0.39
CLK1 P49759 1/20 0.39
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39
CDK5 Q00535 1/20 0.39
DYRK1A Q13627 1/20 0.39
CDK5R1 Q15078 1/20 0.39
DYRK2 Q92630 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
SCHEMBL3882436 0.92 TRPA1 (0.45) TRPA1GSK3BROCK2PAK4PIM1
SCHEMBL3882711 0.89 FFAR4 (0.47) TRPA1GSK3BROCK2PAK4PIM1
SCHEMBL3884887 0.84 FFAR4 (0.47) TRPA1GSK3BROCK2FFAR4CTNNB1
SCHEMBL3880614 0.82 FFAR4 (0.48) TRPA1GSK3BROCK2PAK4PIM1
SCHEMBL27607993 0.81 TRPA1 (0.43) TRPA1GSK3BROCK2PIM1AURKB
SCHEMBL3882183 0.80 TRPA1 (0.45) TRPA1GSK3BROCK2AURKBFFAR4
SCHEMBL3882548 0.79 TRPA1 (0.45) TRPA1GSK3BROCK2PAK4PIM1
SCHEMBL3881095 0.79 THRA (0.47) TRPA1ROCK2FFAR4CTNNB1WNT3A
SCHEMBL3884433 0.79 TRPA1 (0.47) TRPA1GSK3BROCK2PIM1AURKB
SCHEMBL3882443 0.78 THRA (0.48) TRPA1ROCK2FFAR4CTNNB1WNT3A

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
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 TRPA1 135/4885GSK3B 4524/4885ROCK2 3245/4885

“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.