SCHEMBL694651

SCHEMBL694651

CCCCCNS(=O)(=O)CC

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.60
CA2 P00918 5/20 0.56
CA1 P00915 4/20 0.56
CA12 O43570 2/20 0.56
CA7 P43166 2/20 0.56
CA14 Q9ULX7 2/20 0.56
EPHX1 P07099 1/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
RELA Q04206 4/20 0.52
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL1703654 0.97 PPARA (0.64) PPARACA2CA1CA12CA7
SCHEMBL7691833 0.97 PPARA (0.64) PPARACA2CA1CA12CA7
Sulfuric Acid SCHEMBL28705504 0.95 CA2 (0.57) PPARACA2CA1CA12CA7
SCHEMBL277303 0.92 CA1 (0.67) PPARACA2CA1CA12CA7
SCHEMBL8679104 0.92 CA1 (0.67) PPARACA2CA1CA12CA7
SCHEMBL7687552 0.85 RELA (0.62) PPARACA2CA1CA12CA7
SCHEMBL4556568 0.85 RELA (0.68) PPARACA2CA1CA12CA7
SCHEMBL1753871 0.85 RELA (0.58) PPARACA2CA1CA12CA7
SCHEMBL7685651 0.83 RELA (0.71) PPARACA2CA1CA12CA7
SCHEMBL9609767 0.83 RELA (0.71) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016044641-A2 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-03-24 WO disclosed
EP-1606248-B1 SULFONIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE SPA (IT) 2012-02-29 EP disclosed
US-7737139-B2 Sulfonic acids, their derivatives and pharmaceutical compositions containing them DOMPE PHA.R.MA S.P.A. (IT) 2010-06-15 US disclosed
CN-100350968-C Modification of feeding behavior IMP COLLEGE INNOVATIONS LTD (GB) 2007-11-28 CN disclosed
US-20060258730-A1 Sulfonic acids, their derivatives and pharmaceutical compositions containing them DOMPE S.P.A. (IT) 2006-11-16 US disclosed
EP-1606248-A2 SULFONIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dompé S.P.A. (IT) 2005-12-21 EP disclosed
CN-1596119-A Modification of feeding behavior IMP COLLEGE INNOVATIONS LTD (GB) 2005-03-16 CN disclosed
WO-2004080951-A2 SULFONIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE S.P.A. (IT) 2004-09-23 WO disclosed
EP-1457485-A1 Sulfonic acids, their derivatives and pharmaceutical compositions containing them Dompé S.P.A. (IT) 2004-09-15 EP disclosed
WO-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 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-20060258730-A1 Sulfonic acids, their derivatives and pharmaceutical compositions containing them CCR8, CCR1, CXCR1 PPARA 543/4885CA2 565/4885CA1 156/4885

“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.