SCHEMBL382340

SCHEMBL382340

O=C(O)N[C@@H]1CC(=O)OC1Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.39
CACNA1G O43497 2/20 0.39
CTRB1 P17538 1/20 0.38
CASP1 P29466 2/20 0.37
GAA P10253 1/20 0.37
TLR9 Q9NR96 1/20 0.37

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
SCHEMBL28184425 0.87 FASN (0.39) CASP3CTRB1CASP1TLR9
SCHEMBL7404163 0.74 CASP1 (0.52) CASP3CASP1GAA
SCHEMBL21057643 0.72 CTSD (0.44)
SCHEMBL21057644 0.72 CTSD (0.44)
SCHEMBL7652501 0.71 PRKCA (0.39) CTRB1
SCHEMBL7652498 0.71 PRKCA (0.39) CTRB1
SCHEMBL7628338 0.70 GRM2 (0.53) CTRB1
SCHEMBL14288630 0.69 NAAA (0.55) CASP3CASP1GAA
SCHEMBL2113924 0.69 CYP19A1 (0.39) CACNA1G
SCHEMBL30481174 0.67 CPB1 (0.55) CASP3CASP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765778-B1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LAB (US) 2012-01-25 EP disclosed
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES 2010-02-11 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-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BAD CASP3 5/4885CACNA1G 3834/4885CTRB1 1229/4885

“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.