SCHEMBL12608889

SCHEMBL12608889

Cc1ccc(Cl)c(Nc2ccccc2C(=O)NCCS(=O)(=O)O)c1Cl

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 14/20 0.74
▸ MT-CO2 P00403 1/20 0.64
▸ METTL3 Q86U44 2/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ MAPK1 P28482 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ AKR1B10 O60218 1/20 0.61
▸ ABCB11 O95342 1/20 0.61
▸ TTR P02766 1/20 0.61
▸ ADORA3 P0DMS8 1/20 0.61
▸ CHRM1 P11229 1/20 0.61
▸ FABP2 P12104 1/20 0.61
▸ RXRA P19793 1/20 0.61
▸ TBXA2R P21731 1/20 0.61
▸ NR4A1 P22736 1/20 0.61
▸ PTGS1 P23219 1/20 0.61
▸ PDE4A P27815 1/20 0.61
▸ AKR1C3 P42330 1/20 0.61
▸ NR4A2 P43354 1/20 0.61
▸ AKR1C2 P52895 1/20 0.61

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
SCHEMBL13143940 0.86 PTGS2 (0.53) PTGS2MT-CO2AKR1B10ABCB11TTR
SCHEMBL3810321 0.81 PTGS2 (0.76) PTGS2MT-CO2METTL3MEN1MAPK1
SCHEMBL9268418 0.81 PTGS2 (0.77) PTGS2MT-CO2METTL3MEN1MAPK1
SCHEMBL12608897 0.81 MT-CO2 (0.61) PTGS2MT-CO2MEN1KMT2ATTR
SCHEMBL9734401 0.80 PTGS2 (0.75) PTGS2MT-CO2METTL3MEN1MAPK1
Acetic Acid SCHEMBL28343515 0.79 PTGS2 (0.72) PTGS2MT-CO2METTL3MEN1MAPK1
SCHEMBL12608894 0.78 MT-CO2 (0.60) PTGS2MT-CO2MEN1KMT2AAKR1B10
Meclofenamic Acid SCHEMBL106 0.77 PTGS2 (1.00) PTGS2METTL3MEN1MAPK1KMT2A
SCHEMBL7346365 0.77 PTGS2 (0.79) PTGS2MT-CO2METTL3MEN1MAPK1
SCHEMBL11013086 0.77 PTGS2 (0.79) PTGS2MT-CO2METTL3MEN1MAPK1

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 5 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-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 PTGS2 217/4885MT-CO2 4626/4885METTL3 101/4885
US-20110118303-A1 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE TPMT, UTS2R, NSUN3 PTGS2 217/4885MT-CO2 4626/4885METTL3 101/4885

“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.

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