SCHEMBL3883307

SCHEMBL3883307

COC(=O)CCc1cc(N)c(OC(C)c2ccccc2)c(-c2ccc3[nH]ccc3c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.42
ENPP2 Q13822 1/20 0.40
MET P08581 1/20 0.40
CTSK P43235 3/20 0.39
CTSS P25774 1/20 0.39
PTPN1 P18031 2/20 0.38
FFAR1 O14842 1/20 0.36
FEN1 P39748 2/20 0.36
ATR Q13535 1/20 0.36
FYN P06241 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
NPC1 O15118 1/20 0.35
CTNNB1 P35222 1/20 0.35
WNT3A P56704 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
AR P10275 1/20 0.35
GLI1 P08151 1/20 0.35

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
SCHEMBL3882120 0.92 FFAR1 (0.45) PTGS2ENPP2METCTSKCTSS
SCHEMBL3887610 0.87 CCNC (0.48) PTPN1FFAR1CCNCCDK8SLC6A2
SCHEMBL3886545 0.86 PTGS2 (0.40) PTGS2ENPP2METCTSKCTSS
SCHEMBL3889420 0.86 PTGS2 (0.46) PTGS2ENPP2METCTSKCTSS
SCHEMBL3882840 0.86 PTPN1 (0.45) PTGS2ENPP2METCTSKCTSS
SCHEMBL27608051 0.84 ENPP2 (0.43) PTGS2ENPP2PTPN1ATRCCNC
SCHEMBL3881190 0.82 PTPN1 (0.39) PTPN1FFAR1CCNCCDK8AR
SCHEMBL3882472 0.81 ENPP2 (0.38) PTGS2ENPP2PTPN1FEN1ATR
SCHEMBL3881277 0.80 THRA (0.39) PTGS2ENPP2ATRCCNCCDK8
SCHEMBL3688484 0.79 THRA (0.37) PTGS2ENPP2CCNCCDK8AR

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 PTGS2 39/4885ENPP2 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.