SCHEMBL1171343

SCHEMBL1171343

CS(=O)(=O)c1ccc(C(=CC2CCCC2)C(=O)O)cc1Cl.[NaH]

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCK P35557 6/20 0.51
AKR1C3 P42330 6/20 0.36
AKR1C2 P52895 2/20 0.36
AKR1C1 Q04828 2/20 0.36
KCNH2 Q12809 2/20 0.35
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R2 Q8TE23 1/20 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
SCHEMBL1171340 1.00 GCK (0.51) GCKAKR1C3AKR1C2AKR1C1KCNH2
SCHEMBL1171737 0.99 GCK (0.52) GCKAKR1C3AKR1C2AKR1C1KCNH2
SCHEMBL1171734 0.99 GCK (0.52) GCKAKR1C3AKR1C2AKR1C1KCNH2
SCHEMBL1171742 0.91 GCK (0.48) GCK
SCHEMBL1171740 0.91 GCK (0.48) GCK
SCHEMBL2669024 0.90 GCK (0.53) GCKKCNH2PIK3CDPIK3CAPIK3CB
SCHEMBL1171342 0.87 GCK (0.50) GCKKCNH2TAS1R3TAS1R2
SCHEMBL1107285 0.86 GCK (0.49) GCKKCNH2
SCHEMBL2648502 0.84 GCK (0.39) GCKTAS1R3TAS1R2
SCHEMBL2648496 0.84 GCK (0.39) GCKTAS1R3TAS1R2

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-20110040091-A1 PROCESS FOR THE PREPARATION OF (R)-2-PHENYL PROPIONIC ACID DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-02-17 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-20110040091-A1 PROCESS FOR THE PREPARATION OF (R)-2-PHENYL PROPIONIC ACID DERIVATIVES PCCA, GRHPR, GABRR2 GCK 970/4885AKR1C3 7/4885AKR1C2 27/4885

“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.