SCHEMBL10058366

SCHEMBL10058366

CN(C)C(=O)C[C@H](CSc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.49
CTRB1 P17538 2/20 0.49
CA2 P00918 1/20 0.46
CYP3A4 P08684 2/20 0.45
TSHR P16473 1/20 0.45
CTSK P43235 6/20 0.45
CTSL P07711 5/20 0.45
CTSS P25774 5/20 0.45
CTSB P07858 4/20 0.45
SYK P43405 1/20 0.45
ATM Q13315 1/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
EGFR P00533 1/20 0.42
ELANE P08246 1/20 0.41

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
SCHEMBL19145116 0.89 CASP1 (0.47) CASP1CTRB1CA2CYP3A4CTSK
SCHEMBL553955 0.86 CASP1 (0.54) CASP1CTRB1CA2CYP3A4TSHR
SCHEMBL553954 0.86 CASP1 (0.54) CASP1CTRB1CA2CYP3A4TSHR
SCHEMBL14067148 0.85 CTRB1 (0.50) CASP1CTRB1CA2CYP3A4CTSK
SCHEMBL8064065 0.84 PLA2G10 (0.47) TSHRCTSKLMNAKMT2A
SCHEMBL10058367 0.84 CTRB1 (0.54) CTRB1CYP3A4TSHRCTSKCTSL
SCHEMBL553506 0.82 MTNR1A (0.49)
SCHEMBL3590845 0.82 MTNR1A (0.49)
SCHEMBL24698678 0.82 ATM (0.46) CYP3A4TSHRCTSKCTSLCTSS
SCHEMBL7575639 0.82 SYK (0.56) CASP1CTRB1CA2CTSKCTSL

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
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
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 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 (3 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-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 CASP1 2538/4885CTRB1 3980/4885CA2 2862/4885
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BAD CASP1 36/4885CTRB1 1229/4885CA2 3803/4885
US-20100056517-A1 ARYLSULFONAMIDE COMPOUNDS BCL2A1, BCL2, BAX CASP1 37/4885CTRB1 142/4885CA2 2340/4885

“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.