SCHEMBL6809217

SCHEMBL6809217

COC(=O)c1cc(C#N)ccc1Nc1ccc(C(F)(F)F)cc1Nc1ccc(C#N)cc1C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 4/20 0.48
CFTR P13569 1/20 0.48
TMPRSS4 Q9NRS4 1/20 0.44
PTGDR2 Q9Y5Y4 4/20 0.43
MRGPRX4 Q96LA9 1/20 0.41
MAP2K1 Q02750 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
CDK2 P24941 1/20 0.40
LRRK2 Q5S007 1/20 0.40
GPR6 P46095 2/20 0.39
SCN8A Q9UQD0 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39

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
SCHEMBL6141349 0.94 TAS2R14 (0.55) TAS2R14CFTRTMPRSS4PTGDR2RXFP1
SCHEMBL22852812 0.87 TAS2R14 (0.51) TAS2R14CFTRTMPRSS4PTGDR2MRGPRX4
SCHEMBL6140921 0.86 TAS2R14 (0.60) TAS2R14TMPRSS4PTGDR2MRGPRX4MAP2K1
SCHEMBL6141098 0.81 TAS2R14 (0.71) TAS2R14MAP2K1RXFP1CDK2
SCHEMBL6141440 0.81 TAS2R14 (0.71) TAS2R14MAP2K1RXFP1CDK2
SCHEMBL22852807 0.78 CFTR (0.45) TAS2R14CFTRPTGDR2MRGPRX4RXFP1
SCHEMBL14055912 0.76 NOTUM (0.47) CFTRTMPRSS4MRGPRX4PDK1PDK2
SCHEMBL946193 0.76 CYP1A2 (0.50) PTGDR2MRGPRX4
SCHEMBL22853384 0.75 GPR6 (0.42) MRGPRX4MAP2K1GPR6PDK1PDK2
SCHEMBL30294720 0.75 GPR6 (0.42) MRGPRX4MAP2K1GPR6PDK1PDK2

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-20040142993-A1 Inhibitors of HCV NS5B polymerase PHARMACIA & UPJOHN COMPANY 2004-07-22 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-20040142993-A1 Inhibitors of HCV NS5B polymerase POLRMT, POLR1E, CTDSP1 TAS2R14 4336/4885CFTR 474/4885TMPRSS4 789/4885

“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.