SCHEMBL5855070

SCHEMBL5855070

COC(=O)c1cccc(N2C(=O)OCC2Cc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.47
MTOR P42345 2/20 0.47
GAA P10253 1/20 0.46
GRM2 Q14416 1/20 0.45
IDH1 O75874 7/20 0.44
PPARA Q07869 2/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PPARG P37231 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.42

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
SCHEMBL5855065 1.00 PIK3CA (0.47) PIK3CAMTORGAAGRM2IDH1
SCHEMBL2366116 0.88 PIK3CA (0.49) PIK3CAMTORIDH1PPARAALDH1A1
SCHEMBL2366114 0.88 PIK3CA (0.49) PIK3CAMTORIDH1PPARAALDH1A1
SCHEMBL2366266 0.88 PIK3CA (0.49) PIK3CAMTORIDH1PPARAALDH1A1
SCHEMBL5854036 0.88 PPARA (0.47) PIK3CAMTORGAAIDH1PPARA
SCHEMBL5854026 0.88 PPARA (0.47) PIK3CAMTORGAAIDH1PPARA
SCHEMBL17744937 0.83 PPARA (0.62) PPARAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5604553 0.79 IDH1 (0.55) PIK3CAMTORGRM2IDH1SMN1; SMN2
SCHEMBL5604547 0.79 IDH1 (0.55) PIK3CAMTORGRM2IDH1SMN1; SMN2
SCHEMBL5854432 0.77 P2RX3 (0.50) GAAGRM2IDH1

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
US-6992103-B2 Benzamide derivatives, processes for their preparation, and their pharmaceutical use SMITHKLINE BEECHAM P.L.C. (GB) 2006-01-31 US disclosed
US-20050085520-A1 Benzamide derivatives, processes for their preparation, and their pharmaceutical use SMITHKLINE BEECHAM P.L.C. (GB) 2005-04-21 US disclosed
EP-1448520-A1 BENZAMIDE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM PLC (GB) 2004-08-25 EP disclosed
WO-2003045913-A1 BENZAMIDE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM P.L.C. (GB) 2003-06-05 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-20050085520-A1 Benzamide derivatives, processes for their preparation, and their pharmaceutical use BACE2, PSEN2, BACE1 PIK3CA 2833/4885MTOR 2060/4885GAA 13/4885

“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.