SCHEMBL7800628

SCHEMBL7800628

COC(=O)Cc1csc(NC(=O)C(CC2CCCC2)c2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)n1.CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)O)cc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.51
GCK P35557 15/20 0.48
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
AVPR1B P47901 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
SCHEMBL2646630 0.97 KCNH2 (0.54) KCNH2GCKAVPR1B
SCHEMBL2645001 0.85 KCNH2 (0.55) KCNH2GCK
SCHEMBL27482380 0.85 KCNH2 (0.57) KCNH2GCK
SCHEMBL6562242 0.84 KCNH2 (0.55) KCNH2GCK
SCHEMBL2646661 0.82 GCK (0.68) KCNH2GCK
SCHEMBL2648514 0.81 GCK (0.55) KCNH2GCKAVPR1B
SCHEMBL2645963 0.80 KCNH2 (0.48) KCNH2GCK
SCHEMBL2645781 0.80 KCNH2 (0.48) KCNH2GCK
SCHEMBL2647332 0.80 ALDH1A1 (0.51) KCNH2GCKALDH1A1TDP1
SCHEMBL2646354 0.79 KCNH2 (0.79) KCNH2GCK

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-20010039344-A1 Heteroaromatic glucokinase activators HOFFMANN-LA ROCHE INC. 2001-11-08 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-20010039344-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK KCNH2 1062/4885GCK 2/4885ALDH1A1 3111/4885

“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.