SCHEMBL12608940

SCHEMBL12608940

CC(C)Cc1ccc(C(C)C(=O)NCCS(=O)(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.64
CA1 P00915 5/20 0.64
CA2 P00918 5/20 0.64
CA4 P22748 5/20 0.64
CA9 Q16790 5/20 0.64
CXCR1 P25024 3/20 0.62
CXCR2 P25025 3/20 0.62
CHRM1 P11229 1/20 0.60
PDE4A P27815 1/20 0.60
TRPV1 Q8NER1 1/20 0.55
APP P05067 1/20 0.55
BCHE P06276 1/20 0.55
ACHE P22303 1/20 0.55

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
SCHEMBL15343987 1.00 CA12 (0.64) CA12CA1CA2CA4CA9
SCHEMBL15369139 1.00 CA12 (0.64) CA12CA1CA2CA4CA9
SCHEMBL918413 0.92 CA12 (0.62) CA12CA1CA2CA4CA9
SCHEMBL15340501 0.89 CXCR1 (0.66) CA12CA1CA2CA4CA9
SCHEMBL15340500 0.89 CXCR1 (0.66) CA12CA1CA2CA4CA9
SCHEMBL1039318 0.85 CA12 (0.48) CA12CA1CA2CA4CA9
SCHEMBL6069869 0.84 CHRM1 (0.65) CA12CA1CA2CA4CA9
SCHEMBL6675668 0.84 CHRM1 (0.65) CA12CA1CA2CA4CA9
Hydrochloric Acid SCHEMBL6286457 0.83 CXCR1 (0.62) CA12CA1CA2CA4CA9
Mabuprofen SCHEMBL51633 0.82 CHRM1 (0.67) CA12CA1CA2CA4CA9

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-8575217-B2 Anti-inflammatory and antioxidant conjugates useful for treating metabolic disorders GENMEDICA THERAPEUTICS SL (ES) 2013-11-05 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-20130281520-A1 Anti-Inflammatory And Antioxidant Conjugates Useful For Treating Metabolic Disorders GENMEDICA THERAPEUTICS SL (ES) 2013-10-24 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 (3 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 CA12 1695/4885CA1 692/4885CA2 2974/4885
US-20130281520-A1 Anti-Inflammatory And Antioxidant Conjugates Useful For Treating Metabolic Disorders HSD17B14, SORD, GPX4 CA12 4268/4885CA1 4103/4885CA2 3393/4885
US-20110118303-A1 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE TPMT, UTS2R, NSUN3 CA12 1695/4885CA1 692/4885CA2 2974/4885

“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.