SCHEMBL47176

SCHEMBL47176

CS(=O)(=O)c1ccc(S(C)(=O)=O)c(C2CC3(CC3)c3cc(C(=O)O)ccc3N2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 2/20 0.57
PRKAA1 Q13131 2/20 0.57
PRKAB1 Q9Y478 2/20 0.57
PRKAB2 O43741 1/20 0.57
PRKAA2 P54646 1/20 0.57
PRKAG3 Q9UGI9 1/20 0.57
PRKAG2 Q9UGJ0 1/20 0.57
F11 P03951 4/20 0.35
F7 P08709 2/20 0.35
F10 P00742 1/20 0.35
RXRA P19793 3/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
KDM1A O60341 3/20 0.33

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
SCHEMBL47174 0.89 PRKAG1 (0.61) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL47171 0.82 PRKAG1 (0.53) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL2760502 0.74 PRKAG1 (0.66) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL2740532 0.73 PRKAG1 (0.82) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL2740533 0.72 PRKAG1 (1.00) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL46890 0.72 PRKAG1 (0.71) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL2740531 0.72 PRKAG1 (0.78) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL46885 0.71 PRKAG1 (0.69) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL11028551 0.71 F11 (0.47) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL47229 0.69 PRKAG1 (0.62) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588458-B1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-06-04 EP disclosed
US-20120004218-A1 NOVEL TETRAHYDRO-QUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-01-05 US disclosed
US-20120004218-A1 NOVEL TETRAHYDRO-QUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-01-05 US disclosed
WO-2012001020-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-05 WO 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-20120004218-A1 NOVEL TETRAHYDRO-QUINOLINE DERIVATIVES GPR119, PRKAB1, PRKAG1 PRKAG1 3/4885PRKAA1 5/4885PRKAB1 2/4885

“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.