SCHEMBL819735

SCHEMBL819735

CCC(C)S(=O)(=O)NCCN

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.40
NPY5R Q15761 1/20 0.33
CYP3A4 P08684 1/20 0.33
CA1 P00915 2/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL12425770 0.82 CA1 (0.50) GRIA1NPY5RCA1CA2
SCHEMBL5107737 0.79 GRIA1 (0.62) GRIA1CYP3A4
SCHEMBL17771565 0.78 CA1 (0.54) GRIA1NPY5RCA1CA2
SCHEMBL12384310 0.78 GRIA1 (0.40) GRIA1NPY5RCA1
SCHEMBL2006632 0.77 GRIA1 (0.36) GRIA1NPY5RCA1
SCHEMBL24303704 0.75 ALDH1A1 (0.50) GRIA1NPY5RCA2
SCHEMBL17771179 0.75 GRIA1 (0.47) GRIA1NPY5RCA1CA2
SCHEMBL24735793 0.75 GRIA1 (0.57) GRIA1NPY5RCA1CA2
SCHEMBL21104550 0.74 GABRP (0.38) GRIA1
SCHEMBL1446498 0.73 GRIA1 (0.33) GRIA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9162934-B2 Process for producing optically active alcohol KANTO KAGAKU KABUSHIKI KAISHA (JP) 2015-10-20 US disclosed
EP-2394977-B1 Process for producing optically active alcohol KANTO KAGAKU (JP) 2014-01-08 EP disclosed
EP-2394977-A1 Process for producing optically active alcohol Kanto Kagaku Kabushiki Kaisha (JP) 2011-12-14 EP disclosed
US-20110282077-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL KANTO KAGAKU KABUSHIKI KAISHA (JP) 2011-11-17 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 (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-20110282077-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL ADH1A, ADH1C, ADH5 GRIA1 1480/4885NPY5R 4347/4885CYP3A4 731/4885

“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.