SCHEMBL6802907

SCHEMBL6802907

COC(=O)c1ccccc1Nc1ccc(C(F)(F)F)cc1Nc1ccc(CN)cc1C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 3/20 0.49
CFTR P13569 1/20 0.46
AKR1B1 P15121 1/20 0.43
AKR1C4 P17516 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
PTK2 Q05397 2/20 0.41
KMT2A Q03164 1/20 0.40

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
SCHEMBL6141345 1.00 TAS2R14 (0.49) TAS2R14CFTRAKR1B1AKR1C4AKR1C3
SCHEMBL6808607 0.88 CCR1 (0.43) TAS2R14CFTRAKR1B1AKR1C4AKR1C3
SCHEMBL6141291 0.86 GAA (0.48) TAS2R14CFTRAKR1B1AKR1C4AKR1C3
SCHEMBL6141255 0.85 TAS2R14 (0.61) TAS2R14AKR1B1AKR1C4AKR1C3AKR1C2
Hydrochloric Acid SCHEMBL6140912 0.84 TAS2R14 (0.60) TAS2R14AKR1B1AKR1C4AKR1C3AKR1C2
Hydrochloric Acid SCHEMBL6141240 0.84 TAS2R14 (0.60) TAS2R14AKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL6141367 0.83 TAS2R14 (0.46) TAS2R14CFTRAKR1B1AKR1C4AKR1C3
SCHEMBL6141355 0.82 TAS2R14 (0.54) TAS2R14AKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL6141233 0.81 TAS2R14 (0.49) TAS2R14CFTRAKR1B1AKR1C4AKR1C3
SCHEMBL6141349 0.80 TAS2R14 (0.55) TAS2R14CFTRAKR1B1AKR1C4AKR1C3

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 474/4885AKR1B1 2012/4885

“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.