SCHEMBL2102910

SCHEMBL2102910

O=C(NC(CS(=O)(=O)Cl)C(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 4/20 0.52
MMP13 P45452 3/20 0.52
CTSK P43235 3/20 0.51
TACR1 P25103 2/20 0.51
CTRB1 P17538 2/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CTSS P25774 1/20 0.50
IDO1 P14902 1/20 0.50
ALDH1A1 P00352 1/20 0.49
ALOX15 P16050 1/20 0.49

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
SCHEMBL2749553 0.92 PPARA (0.53) CASP1MMP13CTSKTACR1CTRB1
SCHEMBL10876857 0.87 SYK (0.54) CASP1MMP13CTSKCTSLCTSB
SCHEMBL10876867 0.87 SYK (0.54) CASP1MMP13CTSKCTSLCTSB
SCHEMBL10600322 0.87 SYK (0.54) CASP1MMP13CTSKCTSLCTSB
SCHEMBL30788894 0.86 CASP1 (0.51) CASP1MMP13CTSKTACR1CTRB1
SCHEMBL19136379 0.83 CA2 (0.54) CTSKCTRB1CA12CA1CA2
SCHEMBL30629995 0.83 CA2 (0.54) CTSKCTRB1CA12CA1CA2
SCHEMBL31089911 0.83 CA2 (0.54) CTSKCTRB1CA12CA1CA2
SCHEMBL18576677 0.82 CTRB1 (0.67) CTSKTACR1CTRB1CA12CA1
SCHEMBL2353282 0.82 CTRB1 (0.67) CTSKTACR1CTRB1CA12CA1

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-1819667-B1 SULFONAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY INC (US) 2012-10-17 EP disclosed
US-8163735-B2 Sulfonamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2012-04-24 US disclosed
US-20090233909-A1 Sulfonamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2009-09-17 US disclosed
EP-1819667-A1 SULFONAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-08-22 EP disclosed
WO-2006060810-A1 SULFONAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-08 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-20090233909-A1 Sulfonamide compounds as cysteine protease inhibitors CTSF, CTSS, CSTB CASP1 606/4885MMP13 488/4885CTSK 6/4885

“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.