SCHEMBL12608897

SCHEMBL12608897

Cc1c(Cl)cccc1Nc1ccccc1C(=O)NCCS(=O)(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MT-CO2 P00403 11/20 0.61
▸ PTGS1 P23219 2/20 0.60
▸ PTGS2 P35354 4/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ USP2 O75604 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ TTR P02766 1/20 0.59
▸ PLA2G1B P04054 1/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ PGR P06401 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ HTR1A P08908 1/20 0.59
▸ ADRA2A P08913 1/20 0.59
▸ ADORA3 P0DMS8 1/20 0.59
▸ AR P10275 1/20 0.59
▸ MAPT P10636 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ HPGD P15428 1/20 0.59
▸ HTR2A P28223 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59

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
SCHEMBL12608894 0.88 MT-CO2 (0.60) MT-CO2PTGS1PTGS2MEN1LMNA
SCHEMBL13143940 0.86 PTGS2 (0.53) MT-CO2PTGS1PTGS2TTRCYP3A4
SCHEMBL12608889 0.81 PTGS2 (0.74) MT-CO2PTGS1PTGS2MEN1USP2
SCHEMBL10310894 0.79 MT-CO2 (0.60) MT-CO2PTGS1PTGS2MEN1USP2
SCHEMBL13013590 0.79 MT-CO2 (0.58) MT-CO2PTGS1PTGS2MEN1LMNA
SCHEMBL29940581 0.78 MT-CO2 (0.71) MT-CO2PTGS2MEN1USP2LMNA
SCHEMBL28905901 0.78 MT-CO2 (0.71) MT-CO2PTGS2MEN1USP2LMNA
SCHEMBL10518206 0.78 MT-CO2 (0.73) MT-CO2PTGS1PTGS2MEN1USP2
SCHEMBL13653002 0.77 MT-CO2 (0.57) MT-CO2PTGS1PTGS2MEN1USP2
SCHEMBL28292525 0.75 PTGS1 (1.00) PTGS1PTGS2MEN1KMT2A

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 MT-CO2 4626/4885PTGS1 44/4885PTGS2 217/4885
US-20110118303-A1 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE TPMT, UTS2R, NSUN3 MT-CO2 4626/4885PTGS1 44/4885PTGS2 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