SCHEMBL3260166

SCHEMBL3260166

CCCCCS(=O)(=O)C(C)C#N

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.50
FAAH O00519 4/20 0.40
TSHR P16473 1/20 0.36
TP53 P04637 1/20 0.35
CES1 P23141 4/20 0.34
CES2 O00748 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
SCHEMBL28140285 0.98 CA2 (0.53) CA2FAAHTSHRTP53CES1
SCHEMBL6050006 0.79 CA2 (0.50) CA2FAAHTSHRCES1CES2
SCHEMBL25247075 0.77
SCHEMBL5505478 0.75 CA2 (0.59) CA2FAAHTP53CES1CES2
SCHEMBL17138111 0.74 CA2 (0.64) CA2FAAHTP53CES1
SCHEMBL28140357 0.74 TSHR (0.30) TSHR
SCHEMBL6049941 0.74 CA2 (0.39) CA2FAAHTSHRTP53
SCHEMBL14519882 0.73 CA2 (0.63) CA2FAAHTSHRTP53CES1
SCHEMBL1911477 0.73 CA2 (0.63) CA2FAAHTSHRTP53CES1
SCHEMBL11101496 0.73 CA2 (0.63) CA2FAAHTSHRTP53CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015081188-A1 PHARMACEUTICAL COMPOSITION COMPRISING OMEGA-(ARYLSULFONYL)ALKYLNITRILE OLATEC INDUSTRIES LLC (US) 2015-06-04 WO disclosed
EP-1807393-B1 DIARYLSULFONES AS 5-HT2A ANTAGONISTS MERCK SHARP & DOHME (GB) 2010-03-31 EP disclosed
US-20090170824-A1 Diarylsulfones as 5-HT2A Antagonists CASTRO PINEIRO JOSE LUIS 2009-07-02 US disclosed
EP-1858852-B1 HETEROARYLSULFONYL STILBENES AS 5-HT2A ANTAGONISTS MERCK SHARP & DOHME (GB) 2009-07-01 EP disclosed
US-7468393-B2 Diarylsulfones as 5-HT2A antagonists MERCK SHARP & DOHME LTD. (GB) 2008-12-23 US disclosed
US-20080280956-A1 Heteroarylsulfonyl Stilbenes as 5-Ht2a Antagonists GILLIGAN MYRA 2008-11-13 US disclosed
EP-1858852-A1 HETEROARYLSULFONYL STILBENES AS 5-HT2A ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2007-11-28 EP disclosed
US-20070203205-A1 Diarylsulfones as 5-HT2A antagonists MERCK SHARP & DOHME (UK) LIMITED (GB) 2007-08-30 US disclosed
EP-1807393-A1 DIARYLSULFONES AS 5-HT2A ANTAGONISTS Merck Sharp & Dohme Limited (GB) 2007-07-18 EP disclosed
EP-1786768-A1 ARYLSULPHONYLSTILBENE DERIVATIVES FOR TREATMENT OF INSOMNIA AND RELATED CONDITIONS Merck Sharp & Dohme Limited (GB) 2007-05-23 EP disclosed
US-7217740-B2 Diarylsulfones as 5-HT2A antagonists MERCK SHARP AND DOHME 2007-05-15 US disclosed
WO-2006095205-A1 HETEROARYLSULFONYL STILBENES AS 5-HT2A ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2006-09-14 WO disclosed
US-20060052445-A1 Diarylsulfones as 5-HT2A antagonists MERCK SHARP & DOHME (UK) LIMITED (GB) 2006-03-09 US disclosed
WO-2006021806-A1 ARYLSULPHONYLSTILBENE DERIVATIVES FOR TREATMENT OF INSOMNIA AND RELATED CONDITIONS MERCK SHARP & DOHME LIMITED (GB) 2006-03-02 WO disclosed
WO-2006021805-A1 DIARYLSULFONES AS 5-HT2A ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2006-03-02 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 (4 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-20070203205-A1 Diarylsulfones as 5-HT2A antagonists HTR2A, HTR2B, HTR1A CA2 4755/4885FAAH 113/4885TSHR 283/4885
US-20080280956-A1 Heteroarylsulfonyl Stilbenes as 5-Ht2a Antagonists HTR2A, HTR2B, HTR2C CA2 4678/4885FAAH 169/4885TSHR 236/4885
US-20060052445-A1 Diarylsulfones as 5-HT2A antagonists HTR2A, HTR2B, HTR1A CA2 4755/4885FAAH 113/4885TSHR 283/4885
US-20090170824-A1 Diarylsulfones as 5-HT2A Antagonists HTR2A, HTR2B, HTR1A CA2 4755/4885FAAH 113/4885TSHR 283/4885

“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.