SCHEMBL2138501

SCHEMBL2138501

CC(c1ccc(C(N)=O)cc1C1CC(C)(C)c2cc(C(F)(F)F)ccc2N1)S(=O)(=O)O

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.32
F10 P00742 4/20 0.31
F11 P03951 4/20 0.31
F7 P08709 4/20 0.31
PRKAB2 O43741 1/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA2 P54646 1/20 0.31
PRKAA1 Q13131 1/20 0.31
PRKAG3 Q9UGI9 1/20 0.31
PRKAG2 Q9UGJ0 1/20 0.31
PRKAB1 Q9Y478 1/20 0.31
HSD11B1 P28845 1/20 0.31
AKR1C3 P42330 1/20 0.30

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
SCHEMBL2136998 0.87 F10 (0.33) F10F11F7PRKAB2PRKAG1
SCHEMBL2133524 0.87 MAP2K4 (0.32) MAP2K4F10F11F7PRKAB2
SCHEMBL2134826 0.86 PRKAB2 (0.39) F10F11F7PRKAB2PRKAG1
SCHEMBL2141232 0.84 F10 (0.37) F10F11F7
SCHEMBL2729727 0.77 F7 (0.43) F10F11F7
SCHEMBL2731367 0.75 IKBKB (0.39) F10F11F7
SCHEMBL11028638 0.75 F11 (0.47) F10F11F7
SCHEMBL2139410 0.71 F10 (0.36) F10F11F7
SCHEMBL2135149 0.69 CTSD (0.35)
SCHEMBL2133151 0.69 PRKAB2 (0.36) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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-20120101127-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES HUA MEDICINE (KY) 2012-04-26 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-20120101127-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES PRKAG1, PRKAB1, PRKAG2 MAP2K4 2699/4885F10 4686/4885F11 4766/4885

“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.