SCHEMBL12608917

SCHEMBL12608917

Cc1cc(CC(=O)NCCS(=O)(=O)O)c(C)n1-c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.46
NOTUM Q6P988 1/20 0.45
PTGS2 P35354 5/20 0.44
PTGS1 P23219 2/20 0.44
GAA P10253 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
USP14 P54578 1/20 0.42
USP7 Q93009 1/20 0.42
CCR1 P32246 1/20 0.41
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.39
P2RX7 Q99572 1/20 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
SCHEMBL16752445 0.76 NOTUM (0.49) SHMT2NOTUMGAAKMT2AMAPK1
Clopirac SCHEMBL24768 0.76 NOTUM (0.61) SHMT2NOTUMPTGS2MAPK1ALDH1A1
SCHEMBL12608916 0.76 NOTUM (0.57) SHMT2NOTUMKMT2AMAPK1ALDH1A1
SCHEMBL11377279 0.75 NOTUM (0.56) SHMT2NOTUMGAAKMT2AMAPK1
SCHEMBL13013630 0.68 PTGS2 (0.76) PTGS2PTGS1
Clopirac SCHEMBL28121041 0.68 NOTUM (0.51) SHMT2NOTUMPTGS2PTGS1GAA
SCHEMBL12608968 0.68 PTGS2 (0.63) PTGS2PTGS1GAAKMT2AALDH1A1
SCHEMBL12608903 0.67 PTGES (0.68) KMT2AALDH1A1MAPT
SCHEMBL11257155 0.67 POLB (0.51) SHMT2NOTUMGAAKMT2AMAPK1
SCHEMBL13740783 0.66 ALDH1A1 (0.72) NOTUMGAAKMT2AMAPK1ALDH1A1

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 6 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

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 SHMT2 449/4885NOTUM 460/4885PTGS2 217/4885
US-20110118303-A1 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE TPMT, UTS2R, NSUN3 SHMT2 449/4885NOTUM 460/4885PTGS2 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.