SCHEMBL3889425

SCHEMBL3889425

COC(=O)CCc1cc(N)c(OCCc2ccccc2F)c(-c2ccc3ccccc3c2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNC P24863 3/20 0.48
CDK8 P49336 3/20 0.48
REN P00797 1/20 0.40
FFAR4 Q5NUL3 2/20 0.39
MAPK1 P28482 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
PTPN1 P18031 4/20 0.36
PTPN2 P17706 1/20 0.36
CDC25B P30305 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
FFAR1 O14842 2/20 0.36
HIF1A Q16665 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
SCHEMBL3885231 0.90 FFAR4 (0.49) CCNCCDK8FFAR4FFAR1
SCHEMBL27627133 0.88 CCNC (0.49) CCNCCDK8RENFFAR4MAPK1
SCHEMBL6392023 0.86 CCNC (0.45) CCNCCDK8RENFFAR4SLC6A2
SCHEMBL3892618 0.85 CCNC (0.47) CCNCCDK8RENFFAR4SLC6A2
SCHEMBL3894129 0.85 CCNC (0.49) CCNCCDK8FFAR4SLC6A2SLC6A4
SCHEMBL27607975 0.85 CCNC (0.48) CCNCCDK8SLC6A2SLC6A4SLC6A3
SCHEMBL3889870 0.85 CCNC (0.48) CCNCCDK8MAPK1SLC6A2SLC6A4
SCHEMBL3884827 0.84 CCNC (0.48) CCNCCDK8RENSLC6A2SLC6A4
SCHEMBL3894677 0.84 AKR1C3 (0.43) FFAR4PTPN1PTPN2CDC25BAKR1C3
SCHEMBL3882566 0.83 CCNC (0.45) CCNCCDK8RENSLC6A2SLC6A4

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
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 CCNC 2174/4885CDK8 3600/4885REN 587/4885

“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.