SCHEMBL12608923

SCHEMBL12608923

O=C(NCCS(=O)(=O)O)c1cc(O)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.62
▸ ALOX5 P09917 3/20 0.46
▸ PTGS2 P35354 3/20 0.46
▸ SYK P43405 3/20 0.46
▸ EGFR P00533 2/20 0.46
▸ CDK1 P06493 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ CA12 O43570 2/20 0.44
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA7 P43166 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ CA14 Q9ULX7 2/20 0.44

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
SCHEMBL17774845 0.85 ALOX5 (0.50) NAAAALOX5PTGS2SYKEGFR
SCHEMBL12041032 0.84 TDP1 (0.51) NAAAALOX5PTGS2CDK1KDM4E
SCHEMBL12041029 0.81 NAAA (0.60) NAAAALOX5KDM4ELMNAGAA
Gentisic Acid Ethanolamide SCHEMBL1179368 0.80 NAAA (0.65) NAAAALOX5PTGS2SYKEGFR
Gentisic Acid Ethanolamide SCHEMBL29379843 0.80 NAAA (0.65) NAAAALOX5PTGS2SYKEGFR
SCHEMBL12041038 0.79 TDP1 (0.59) NAAAPTGS2EGFRCDK1KDM4E
SCHEMBL6185423 0.78 NAAA (0.40) NAAAALOX5PTGS2SYKEGFR
SCHEMBL6619566 0.77 NAAA (0.40) NAAAALOX5PTGS2SYKEGFR
SCHEMBL9785906 0.77 NAAA (1.00) NAAAALOX5PTGS2SYKEGFR
SCHEMBL5488260 0.77 NAAA (1.00) NAAAALOX5PTGS2SYKEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140057959-A1 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE UNIVERSIDADE ESTADUAL PAULISTA JULIO DE MESQUITA FILHO - UNESP (BR) 2014-02-27 — — US disclosed
US-20140057959-A1 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE UNIVERSIDADE ESTADUAL PAULISTA JULIO DE MESQUITA FILHO - UNESP (BR) 2014-02-27 — — US disclosed
US-8569335-B2 Compounds derived from taurine, process of their preparation and pharmaceutical compositions containing these EMS S.A. (BR) 2013-10-29 — — US disclosed
US-8569335-B2 Compounds derived from taurine, process of their preparation and pharmaceutical compositions containing these EMS S.A. (BR) 2013-10-29 — — US disclosed
US-20110118303-A1 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE EMS S.A. (BR) 2011-05-19 — — US disclosed
US-20110118303-A1 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE EMS S.A. (BR) 2011-05-19 — — US disclosed
WO-2009124371-A9 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE EMS S. A. (BR) 2010-12-02 — — WO disclosed
WO-2009124371-A2 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE EMS S. A. (BR) 2009-10-15 — — 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 (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-20140057959-A1 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE TPMT, UTS2R, NSUN3 NAAA 255/4885ALOX5 433/4885PTGS2 217/4885
US-20110118303-A1 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE TPMT, UTS2R, NSUN3 NAAA 255/4885ALOX5 433/4885PTGS2 217/4885

“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.

Send feedback