SCHEMBL3883099

SCHEMBL3883099

Nc1nc2ccc(-c3cc(CCC(=O)O)ccc3OCc3ccc(F)cc3)cc2s1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 9/20 0.47
TP53 P04637 4/20 0.46
MDM2 Q00987 4/20 0.46
FFAR1 O14842 6/20 0.46
CYP3A4 P08684 3/20 0.44
KCNH2 Q12809 1/20 0.44
PIK3CA P42336 1/20 0.42
AXL P30530 1/20 0.41
GFER P55789 1/20 0.41
PTGER1 P34995 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40

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
SCHEMBL3883688 0.90 PPARD (0.45) FFAR4FFAR1CYP3A4KCNH2PIK3CA
SCHEMBL3885859 0.84 PIK3CA (0.44) TP53CYP3A4KCNH2PIK3CA
SCHEMBL3881317 0.84 FFAR4 (0.55) FFAR4TP53MDM2FFAR1CYP3A4
SCHEMBL3880506 0.84 TP53 (0.50) FFAR4TP53MDM2FFAR1PTGER1
SCHEMBL3882781 0.82 S1PR1 (0.46) FFAR4CYP3A4KCNH2PIK3CA
SCHEMBL3882657 0.81 S1PR1 (0.45) FFAR4CYP3A4KCNH2PIK3CA
SCHEMBL3885016 0.80 S1PR1 (0.46) FFAR4CYP3A4PIK3CA
SCHEMBL3882066 0.79 S1PR1 (0.46) FFAR4CYP3A4PIK3CA
SCHEMBL3882007 0.78 FFAR4 (0.59) FFAR4TP53MDM2FFAR1PTGER1
SCHEMBL73742 0.77 RAB9A (0.59) CYP3A4KCNH2PIK3CAAXLGFER

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 115/4885TP53 4018/4885MDM2 4035/4885

“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.