SCHEMBL10058367

SCHEMBL10058367

CN(C)C(=O)C[C@H](CO)NC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.54
CTSK P43235 9/20 0.49
CTSL P07711 8/20 0.49
CTSS P25774 8/20 0.49
CTSB P07858 7/20 0.49
CYP3A4 P08684 2/20 0.49
TSHR P16473 1/20 0.49
SYK P43405 1/20 0.49
ATM Q13315 1/20 0.48
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
ELANE P08246 1/20 0.45

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
SCHEMBL14288626 0.85 CTRB1 (0.58) CTRB1CTSKCTSLCTSSCTSB
SCHEMBL553905 0.85 CTRB1 (0.61) CTRB1SYKATM
SCHEMBL553906 0.85 CTRB1 (0.61) CTRB1SYKATM
SCHEMBL264008 0.85 CTRB1 (0.61) CTRB1SYKATM
SCHEMBL4829896 0.84 CTRB1 (0.68) CTRB1CTSKCTSLCTSSCTSB
SCHEMBL7986494 0.84 CTRB1 (0.54) CTRB1CTSKCTSLCTSSCTSB
SCHEMBL10058366 0.84 CASP1 (0.49) CTRB1CTSKCTSLCTSSCTSB
SCHEMBL79250 0.84 CTRB1 (0.57) CTRB1CTSKCTSLCTSSCTSB
SCHEMBL555191 0.84 CTRB1 (0.57) CTRB1CTSKCTSLCTSSCTSB
SCHEMBL555192 0.84 CTRB1 (0.57) CTRB1CTSKCTSLCTSSCTSB

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
EP-2094672-B1 ARYLSULFONAMIDE COMPOUNDS GENENTECH INC (US) 2013-05-29 EP disclosed
US-8168645-B2 Arylsulfonamide compounds GENENTECH, INC. (US) 2012-05-01 US disclosed
US-20100056517-A1 ARYLSULFONAMIDE COMPOUNDS GENENTECH, INC. (US) 2010-03-04 US 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 (2 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 CTRB1 1229/4885CTSK 2195/4885CTSL 774/4885
US-20100056517-A1 ARYLSULFONAMIDE COMPOUNDS BCL2A1, BCL2, BAX CTRB1 142/4885CTSK 1449/4885CTSL 773/4885

“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.