SCHEMBL12651566

SCHEMBL12651566

O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)NCCS(=O)(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 7/20 0.65
▸ CA4 P22748 7/20 0.65
▸ CA9 Q16790 7/20 0.65
▸ CA1 P00915 5/20 0.65
▸ CA2 P00918 5/20 0.65
▸ PTGS2 P35354 4/20 0.60
▸ TTR P02766 3/20 0.60
▸ PTGS1 P23219 2/20 0.60
▸ AKR1B10 O60218 1/20 0.60
▸ UGT1A9 O60656 1/20 0.60
▸ TRPA1 O75762 1/20 0.60
▸ ABCB11 O95342 1/20 0.60
▸ MT-CO2 P00403 1/20 0.60
▸ ALB P02768 1/20 0.60
▸ CXCL8 P10145 1/20 0.60
▸ UGT1A6 P19224 1/20 0.60
▸ UGT1A1 P22309 1/20 0.60
▸ CXCR1 P25024 1/20 0.60
▸ ADRA1A P35348 1/20 0.60
▸ AGTR2 P50052 1/20 0.60

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
SCHEMBL15340508 0.89 CA12 (0.64) CA12CA4CA9CA1CA2
SCHEMBL13299169 0.85 PTGS2 (0.66) CA12CA4CA9CA1CA2
SCHEMBL13911574 0.84 PTGS2 (0.64) CA12CA4CA9CA1CA2
SCHEMBL10797057 0.83 CA12 (0.65) CA12CA4CA9CA1CA2
SCHEMBL25948151 0.82 PTGS2 (0.63) CA12CA4CA9CA1CA2
Hydrochloric Acid SCHEMBL10797659 0.82 CA12 (0.64) CA12CA4CA9CA1CA2
SCHEMBL13143940 0.80 PTGS2 (0.53) PTGS2TTRPTGS1AKR1B10UGT1A9
SCHEMBL11195479 0.80 PTGS2 (0.74) CA12CA4CA9CA1CA2
Diclofenac SCHEMBL28293835 0.79 PTGS2 (0.89) CA12CA4CA9CA1CA2
SCHEMBL11409146 0.79 PTGS2 (0.73) CA12CA4CA9CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150025006-A1 Pharmaceutical Combinations Including Anti-Inflammatory and Antioxidant Conjugates Useful for Treating Metabolic Disorders GENMEDICA THERAPEUTICS SL (ES) 2015-01-22 — — 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-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-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
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
US-20100234452-A1 Anti-Inflammatory and Antioxidant Conjugates Useful for Treating Metabolic Disorders GENMEDICA THERAPEUTICS SL (ES) 2010-09-16 — — US disclosed
US-20100234452-A1 Anti-Inflammatory and Antioxidant Conjugates Useful for Treating Metabolic Disorders GENMEDICA THERAPEUTICS SL (ES) 2010-09-16 — — US 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 (5 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 1695/4885CA4 3321/4885CA9 1932/4885
US-20130281520-A1 Anti-Inflammatory And Antioxidant Conjugates Useful For Treating Metabolic Disorders HSD17B14, SORD, GPX4 CA12 4268/4885CA4 1756/4885CA9 3526/4885
US-20100234452-A1 Anti-Inflammatory and Antioxidant Conjugates Useful for Treating Metabolic Disorders HSD17B14, SORD, GPX4 CA12 4268/4885CA4 1756/4885CA9 3526/4885
US-20150025006-A1 Pharmaceutical Combinations Including Anti-Inflammatory and Antioxidant Conjugates Useful for Treating Metabolic Disorders IAPP, AMY2A, GPR119 CA12 1932/4885CA4 960/4885CA9 977/4885
US-20110118303-A1 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE TPMT, UTS2R, NSUN3 CA12 1695/4885CA4 3321/4885CA9 1932/4885

“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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