SCHEMBL964196

SCHEMBL964196

CC(C)COS(=O)(=O)OCl

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL778096 0.84 CA1 (0.42) CA1CA2CA9ALDH1A1
Formaldehyde SCHEMBL27924107 0.79 CA1 (0.39) CA1CA2CA9ALDH1A1
SCHEMBL10896761 0.77 CA1 (0.37) CA1CA2CA9ALDH1A1
SCHEMBL4611124 0.75 CA1 (0.41) CA1CA2CA9ALDH1A1
SCHEMBL964195 0.74
Formaldehyde SCHEMBL27821465 0.73 CA1 (0.34) CA1CA2CA9ALDH1A1
Ammonia Solution, Strong SCHEMBL9528500 0.73 CA1 (0.39) CA1CA2CA9ALDH1A1
Methyl Alcohol SCHEMBL10924123 0.71 CA1 (0.33) CA1CA2CA9ALDH1A1
SCHEMBL776575 0.70
SCHEMBL3877626 0.70

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023126978-A1 PROCESS TO PREPARE OCTOPAMINE SULFATE DIRECTOR, NATIONAL INSTITUTE OF PHARMACEUTICAL EDUCATION AND RESEARCH, GUWAHATI (NIPER-G) (IN) 2023-07-06 WO disclosed
US-20150368204-A1 Sulfated Benzimidazolone Derivatives Having Mixed Serotonine Receptor Affinity Salix Pharmaceuticals, Ltd 2015-12-24 US disclosed
US-20150011564-A1 Sulfated Benzimidazolone Derivatives Having Mixed Serotonine Receptor Affinity SPROUT PHARMACEUTICALS, INC. (US) 2015-01-08 US disclosed
US-8722682-B2 Sulfated benzimidazolone derivatives having mixed serotonin receptor affinity SPROUT PHARMACEUTICALS, INC. (US) 2014-05-13 US disclosed
EP-2097389-B1 SULFATED BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE RECEPTOR AFFINITY BOEHRINGER INGELHEIM INT (DE) 2011-09-14 EP disclosed
US-20110015207-A1 SULFATED BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE RECEPTOR AFFINITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-20 US disclosed
EP-2097389-A1 SULFATED BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE RECEPTOR AFFINITY Boehringer Ingelheim International GmbH (DE) 2009-09-09 EP disclosed
WO-2008074795-A1 SULFATED BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE RECEPTOR AFFINITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-26 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-20150011564-A1 Sulfated Benzimidazolone Derivatives Having Mixed Serotonine Receptor Affinity HTR3B, HTR3A, HTR1E CA1 3662/4885CA2 3759/4885CA9 4815/4885
US-20150368204-A1 Sulfated Benzimidazolone Derivatives Having Mixed Serotonine Receptor Affinity HTR3B, HTR3A, HTR1E CA1 3669/4885CA2 3826/4885CA9 4826/4885
US-20110015207-A1 SULFATED BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE RECEPTOR AFFINITY HTR3A, HTR3B, NPSR1 CA1 3824/4885CA2 3341/4885CA9 4713/4885

“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.