SCHEMBL7472646

SCHEMBL7472646

C=CCOCCS(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CA2 P00918 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CA1 P00915 2/20 0.33
PKM P14618 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 2/20 0.31
MAPT P10636 1/20 0.31
NLRP3 Q96P20 1/20 0.30

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
SCHEMBL15529258 0.81 POLB (0.40) POLBMEN1KMT2ACA2TDP1
SCHEMBL13933646 0.77 POLB (0.38) POLBMEN1KMT2ACA2TDP1
SCHEMBL19285446 0.77 CA2 (0.40) POLBMEN1KMT2ACA2TDP1
SCHEMBL2724427 0.77 PTGS1 (0.39) POLBMEN1KMT2ACA2TDP1
SCHEMBL8550113 0.77 NLRP3 (0.39) CA2ALDH1A1CA1NLRP3
SCHEMBL28225264 0.76 PTGS1 (0.37) POLBMEN1KMT2ACA2TDP1
SCHEMBL19285342 0.76 KDM4E (0.41) POLBMEN1KMT2ACA2ALDH1A1
SCHEMBL5174512 0.76
SCHEMBL850694 0.76 USP2 (0.46) POLBMEN1KMT2ACA2TDP1
SCHEMBL2555600 0.74 TSHR (0.44) POLBMEN1KMT2ACA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180105553-A1 POLYPEPTIDES, PEPTIDES, AND PROTEINS FUNCTIONALIZED BY ALKYLATION OF THIOETHER GROUPS VIA RING-OPENING REACTIONS NATIONAL SCIENCE FOUNDATION 2018-04-19 US disclosed
US-9524871-B2 Silicon-containing resist underlayer film-forming composition having sulfone structure NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-12-20 US disclosed
US-9524871-B2 Silicon-containing resist underlayer film-forming composition having sulfone structure NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-12-20 US disclosed
US-20140170855-A1 SILICON-CONTAINING RESIST UNDERLAYER FILM-FORMING COMPOSITION HAVING SULFONE STRUCTURE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-06-19 US disclosed
US-20140170855-A1 SILICON-CONTAINING RESIST UNDERLAYER FILM-FORMING COMPOSITION HAVING SULFONE STRUCTURE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-06-19 US disclosed
EP-0882038-B1 SUBSTITUTED N-METHYL-N-(4-(PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES AVENTIS PHARMA INC (US) 2002-12-18 EP disclosed
US-6329392-B1 ANTIALLERGENS AVENTIS PHARMACEUTICALS, INC. 2001-12-11 US disclosed
US-6297259-B1 HISTAMINE RECEPTOR ANTAGONISTS AND TACHYKININ RECEPTOR ANTAGONISTS. AVENTIS PHARMACEUTICALS INC. 2001-10-02 US disclosed
US-5998439-A RESPIRATORY SYSTEM DISORDERS Hoescht Marion Roussel, Inc. (US) 1999-12-07 US disclosed
EP-0777666-B1 SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMA INC (US) 1999-03-03 EP disclosed
EP-0882038-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1998-12-09 EP disclosed
WO-1997030990-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-08-28 WO disclosed
EP-0777666-A1 NOVEL SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMACEUTICALS INC. (US) 1997-06-11 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 (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-20180105553-A1 POLYPEPTIDES, PEPTIDES, AND PROTEINS FUNCTIONALIZED BY ALKYLATION OF THIOETHER GROUPS VIA RING-OPENING REACTIONS PTMS, TMT1A, PTMA POLB 4715/4885MEN1 3470/4885KMT2A 2364/4885

“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.