SCHEMBL4094113

SCHEMBL4094113

O=C1Nc2ccc(S(=O)(=O)N3CCCC3COc3ccccc3)cc2C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 19/20 1.00
CASP7 P55210 15/20 1.00
CASP1 P29466 7/20 1.00
CASP6 P55212 4/20 1.00
CASP9 P55211 4/20 1.00
CASP2 P42575 4/20 1.00
CASP4 P49662 2/20 1.00
CASP8 Q14790 2/20 1.00

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
SCHEMBL2263591 1.00 CASP3 (1.00) CASP3CASP7CASP1CASP6CASP9
SCHEMBL7736082 0.98 CASP3 (0.96) CASP3CASP7CASP1CASP6CASP9
SCHEMBL4156166 0.94 CASP3 (1.00) CASP3CASP7CASP1CASP6CASP9
SCHEMBL4143950 0.94 CASP3 (1.00) CASP3CASP7CASP1CASP6CASP9
SCHEMBL6535137 0.91 CASP3 (0.84) CASP3CASP7CASP1CASP6CASP9
SCHEMBL6535139 0.91 CASP3 (0.84) CASP3CASP7CASP1CASP6CASP9
SCHEMBL6535718 0.90 CASP3 (0.82) CASP3CASP7CASP1CASP6CASP9
SCHEMBL2259069 0.90 CASP3 (0.82) CASP3CASP7CASP1CASP6CASP9
SCHEMBL6535499 0.90 CASP3 (0.82) CASP3CASP7CASP1CASP6CASP9
SCHEMBL6535497 0.90 CASP3 (0.82) CASP3CASP7CASP1CASP6CASP9

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242081-A4 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2004-07-21 EP claimed
EP-1001933-A4 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2002-11-06 EP claimed
EP-1242081-A1 CASPASES AND APOPTOSIS SmithKline Beecham Corporation (US) 2002-09-25 EP claimed
US-6403792-B1 INHIBIT PRODUCTION OF CASPASE 3 AND 7 IN MAMMALS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US claimed
WO-2001022966-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-05 WO claimed
EP-1001933-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 2000-05-24 EP claimed
WO-1999006367-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-11 WO claimed
US-20130149239-A1 5-PYRROLIDINYLSULFONYL-ISATIN DERIVATIVES UNIVERSITATSKLINIKUM MUNSTER (DE) 2013-06-13 US disclosed
US-8440841-B2 5-pyrrolidinylsulfonyl isatin derivatives Universitätsklinikum Münster (DE) 2013-05-14 US disclosed
US-8329686-B2 Isatin analogues and uses therefor WASHINGTON UNIVERSITY (US) 2012-12-11 US disclosed
US-20090068105-A1 ISATIN ANALOGUES AND USES THEREFOR WASHINGTON UNIVERSITY IN ST. LOUIS 2009-03-12 US disclosed
US-20090041664-A1 5-Pyrrolidinylsulfonyl Isatin Derivatives UNIVERSITATSKLINIKUM MUNSTER (DE) 2009-02-12 US disclosed
EP-1841759-A2 5-PYRROLIDINYLSULFONYL ISATIN DERIVATIVES Universitätsklinikum Münster (DE) 2007-10-10 EP disclosed
EP-1242081-A1 CASPASES AND APOPTOSIS SmithKline Beecham Corporation (US) 2002-09-25 EP disclosed
US-6403792-B1 INHIBIT PRODUCTION OF CASPASE 3 AND 7 IN MAMMALS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US disclosed
WO-2001022966-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-05 WO disclosed
EP-1087663-A2 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-04 EP disclosed
EP-1001933-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 2000-05-24 EP disclosed
WO-1999065451-A2 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-23 WO disclosed
WO-1999006367-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-11 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 (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-20130149239-A1 5-PYRROLIDINYLSULFONYL-ISATIN DERIVATIVES CASP5, SLC1A5, CTSZ CASP3 4/4885CASP7 37/4885CASP1 29/4885
US-20090041664-A1 5-Pyrrolidinylsulfonyl Isatin Derivatives CASP5, CTSZ, CTSS CASP3 5/4885CASP7 28/4885CASP1 18/4885
US-20090068105-A1 ISATIN ANALOGUES AND USES THEREFOR CASP7, CASP3, HASPIN CASP3 2/4885CASP7 1/4885CASP1 11/4885

“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.