SCHEMBL3873879

SCHEMBL3873879

Cc1nc(C)c(CCNC(=O)O)s1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.68
ALDH1A1 P00352 2/20 0.64
TP53 P04637 9/20 0.48
THRB P10828 4/20 0.48
MAPT P10636 8/20 0.44
LMNA P02545 6/20 0.44

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
SCHEMBL22640005 0.82 GAA (1.00) GAAALDH1A1TP53THRBMAPT
SCHEMBL24202463 0.77 ALDH1A1 (0.50) GAAALDH1A1TP53THRBMAPT
SCHEMBL4573845 0.74 ALDH1A1 (0.48) GAAALDH1A1TP53THRB
SCHEMBL873381 0.73 PTGDR2 (0.53) GAAALDH1A1MAPTLMNA
SCHEMBL263398 0.72 ALDH1A1 (0.45) GAAALDH1A1TP53THRB
SCHEMBL1243700 0.72 TP53 (0.72) GAAALDH1A1TP53THRBMAPT
SCHEMBL1267025 0.70 ALDH1A1 (0.45) GAAALDH1A1TP53THRBLMNA
SCHEMBL10282380 0.70 ALDH1A1 (0.42) GAAALDH1A1TP53THRB
SCHEMBL13995833 0.69 GAA (0.43) GAAALDH1A1TP53THRBMAPT
SCHEMBL18256087 0.69 ALDH1A1 (0.43) GAAALDH1A1TP53THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156651-A1 Heterocyclylethylbenzamide Derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-06-18 US disclosed
EP-1871744-B1 NEW HETEROCYCLYLETHYLBENZAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2009-01-07 EP disclosed
EP-1871744-A1 NEW HETEROCYCLYLETHYLBENZAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2008-01-02 EP disclosed
WO-2006108792-A1 NEW HETEROCYCLYLETHYLBENZAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2006-10-19 WO disclosed
EP-1710237-A1 New heterocyclylethylbenzamide derivatives Bayer CropScience S.A. (FR) 2006-10-11 EP 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-20090156651-A1 Heterocyclylethylbenzamide Derivatives CYP1A2, CYP51A1, CYP1B1 GAA 38/4885ALDH1A1 787/4885TP53 3468/4885

“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.