SCHEMBL1171349

SCHEMBL1171349

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

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.62
GCK P35557 13/20 0.52
APP P05067 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TBXA2R P21731 1/20 0.37
PTGDR Q13258 1/20 0.37
GRN P28799 1/20 0.36
SORT1 Q99523 1/20 0.36

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
SCHEMBL1171353 1.00 KCNH2 (0.62) KCNH2GCKAPPPSEN1PSEN2
SCHEMBL1171463 0.99 KCNH2 (0.63) KCNH2GCKAPPPSEN1PSEN2
SCHEMBL1171465 0.99 KCNH2 (0.63) KCNH2GCKAPPPSEN1PSEN2
SCHEMBL1171354 0.98 KCNH2 (0.62) KCNH2GCKAPPPSEN1PSEN2
SCHEMBL1859324 0.96 KCNH2 (0.60) KCNH2GCKAPPPSEN1PSEN2
SCHEMBL1859322 0.96 KCNH2 (0.60) KCNH2GCKAPPPSEN1PSEN2
SCHEMBL1171102 0.91 KCNH2 (0.58) KCNH2GCKAPPPSEN1PSEN2
SCHEMBL1445384 0.89 KCNH2 (0.63) KCNH2GCKMEN1KMT2ATBXA2R
SCHEMBL2668907 0.89 KCNH2 (0.63) KCNH2GCKMEN1KMT2A
SCHEMBL1445381 0.89 KCNH2 (0.63) KCNH2GCKMEN1KMT2ATBXA2R

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 KCNH2 159/4885GCK 970/4885APP 1000/4885

“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.