SCHEMBL670038

SCHEMBL670038

CCCCc1nc(C)n(-c2ccccn2)c(=O)c1Cc1cc(CCC)c(Oc2cccc(C)c2Cl)c(CCC)c1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.36
CCR5 P51681 1/20 0.36
APLNR P35414 2/20 0.33
MAPK14 Q16539 1/20 0.33
DPP4 P27487 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL666226 0.85 PPARD (0.35) CCR2CCR5DPP4KDM4E
SCHEMBL671035 0.82 KDM4E (0.38) CCR2MAPK14DPP4KDM4E
SCHEMBL661904 0.81 DPP4 (0.39) CCR2CCR5DPP4KDM4E
SCHEMBL660591 0.81 DPP4 (0.35) CCR2CCR5MAPK14DPP4KDM4E
SCHEMBL661239 0.80 PPARG (0.40) CCR2CCR5
SCHEMBL659988 0.80 AGTR2 (0.41)
SCHEMBL659896 0.80 PPARG (0.36) APLNR
SCHEMBL660072 0.80 PPARG (0.43)
SCHEMBL660214 0.80 PPARG (0.46)
SCHEMBL664828 0.79 DPP4 (0.33) DPP4KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046308-A1 NOVEL ALPHA-PHENOXYBENZENEACETIC ACID DERIVATIVE AND PHARMACEUTICAL PREPARATION COMPRISING SAME KOWA COMPANY, LTD. (JP) 2012-02-23 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-20120046308-A1 NOVEL ALPHA-PHENOXYBENZENEACETIC ACID DERIVATIVE AND PHARMACEUTICAL PREPARATION COMPRISING SAME PPARA, PPARG, PPARD CCR2 471/4885CCR5 1033/4885APLNR 710/4885

“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.