SCHEMBL859920

SCHEMBL859920

CC=CS(=O)(=O)NCCCCC

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.50
CA2 P00918 5/20 0.47
CA1 P00915 4/20 0.47
CA12 O43570 2/20 0.46
CA7 P43166 2/20 0.46
CA14 Q9ULX7 2/20 0.46
EPHX1 P07099 2/20 0.46
ADH1B P00325 1/20 0.40
ADH1C P00326 1/20 0.40
ADH1A P07327 1/20 0.40
ADH4 P08319 1/20 0.40
ADH7 P40394 1/20 0.40
CA9 Q16790 1/20 0.40
RELA Q04206 3/20 0.38

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
SCHEMBL860710 0.77 PPARA (0.52) PPARACA2CA1CA12CA7
SCHEMBL29048051 0.77 PPARA (0.57) PPARACA2CA1CA12CA7
SCHEMBL4563383 0.72 PPARA (0.86) PPARACA2CA1CA12CA7
SCHEMBL2882733 0.72 PPARA (0.62) PPARACA2CA1CA12CA7
SCHEMBL9285865 0.70 PPARA (0.91) PPARACA2CA1CA12CA7
SCHEMBL694651 0.70 PPARA (0.60) PPARACA2CA1CA12CA7
SCHEMBL5256485 0.70 PPARA (0.67) PPARACA2CA1CA12CA7
SCHEMBL10892940 0.70 PPARA (0.91) PPARACA2CA1CA12CA7
SCHEMBL1076805 0.70 CA2 (0.61) PPARACA2CA1CA12CA7
SCHEMBL327308 0.70 PPARA (0.60) PPARACA2CA1CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-21 US disclosed
EP-2433940-B9 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-10-28 EP disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
EP-2433940-B1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2014-09-24 EP disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 US disclosed
EP-2433940-A1 SPIROIMIDAZOLONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-03-28 EP 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 (2 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-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 PPARA 1848/4885CA2 921/4885CA1 3253/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 PPARA 1848/4885CA2 921/4885CA1 3253/4885

“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.