SCHEMBL3881970

SCHEMBL3881970

COC(=O)CCc1cc(-c2ccc3[nH]ccc3c2)c(OC2Cc3ccccc3C2)c([N+](=O)[O-])c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.36
CHEK1 O14757 1/20 0.35
ABCB1 P08183 1/20 0.35
PTPN1 P18031 2/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
EPHX1 P07099 1/20 0.33
CYP2D6 P10635 1/20 0.33
EPHX2 P34913 1/20 0.33
EGFR P00533 1/20 0.33
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33
VCP P55072 1/20 0.32
PTGS2 P35354 1/20 0.32
MAP3K11 Q16584 1/20 0.32
BACE1 P56817 2/20 0.32

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
SCHEMBL3884996 0.91 ENPP2 (0.38) ENPP2ABCB1CTNNB1WNT3AVCP
SCHEMBL3884991 0.91 ENPP2 (0.38) ENPP2ABCB1CTNNB1WNT3AVCP
SCHEMBL3682491 0.89 CHEK1 (0.37) ENPP2CHEK1EPHX1CYP2D6EPHX2
SCHEMBL3883641 0.89 CCNC (0.44) CHEK1PTPN1CCNCCDK8
SCHEMBL3881793 0.88 THRA (0.36) ENPP2CHEK1EPHX1PTGS2BACE1
SCHEMBL3883920 0.87 TRPA1 (0.39) CHEK1CCNCCDK8
SCHEMBL3882472 0.86 ENPP2 (0.38) ENPP2PTPN1CCNCCDK8EPHX1
SCHEMBL3881968 0.85 PTGS2 (0.39) ENPP2ABCB1VCPPTGS2
SCHEMBL3883148 0.84 PTPN1 (0.34) CHEK1PTPN1CCNCCDK8
SCHEMBL3881669 0.84 PTPN1 (0.34) CHEK1PTPN1CCNCCDK8

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 ENPP2 333/4885CHEK1 2850/4885ABCB1 2625/4885

“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.