SCHEMBL4156851

SCHEMBL4156851

CN1C(=O)C(=O)c2cc(S(=O)(=O)N3CCCC3COc3ccccc3)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 20/20 1.00
▸ CASP7 P55210 15/20 1.00
▸ CASP6 P55212 3/20 0.76
▸ CASP1 P29466 1/20 0.76
▸ CASP2 P42575 1/20 0.75
▸ CASP9 P55211 1/20 0.75

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
SCHEMBL4156846 1.00 CASP3 (1.00) CASP3CASP7CASP6CASP1CASP2
SCHEMBL13925501 1.00 CASP3 (1.00) CASP3CASP7CASP6CASP1CASP2
SCHEMBL4142889 0.94 CASP3 (1.00) CASP3CASP7CASP6CASP1CASP2
SCHEMBL4142884 0.94 CASP3 (1.00) CASP3CASP7CASP6CASP1CASP2
SCHEMBL4147675 0.89 CASP3 (1.00) CASP3CASP7CASP6CASP1
SCHEMBL13914619 0.89 CASP3 (0.81) CASP3CASP7CASP6CASP2CASP9
SCHEMBL6535555 0.87 CASP3 (0.79) CASP3CASP7CASP6CASP2CASP9
SCHEMBL6535944 0.87 CASP3 (0.79) CASP3CASP7CASP6CASP2CASP9
SCHEMBL4300791 0.87 CASP3 (1.00) CASP3CASP7CASP6CASP1CASP2
SCHEMBL5184400 0.87 CASP3 (1.00) CASP3CASP7CASP1

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 22 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-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 — — US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 — — 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
EP-1087663-A4 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2004-09-08 — — EP disclosed
EP-1242081-A4 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2004-07-21 — — 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 (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-20090068105-A1 ISATIN ANALOGUES AND USES THEREFOR CASP7, CASP3, HASPIN CASP3 2/4885CASP7 1/4885CASP6 10/4885

“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.

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