SCHEMBL719717

SCHEMBL719717

C#CCOc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.69
CA9 Q16790 4/20 0.69
CA2 P00918 3/20 0.69
CA1 P00915 3/20 0.69
CA7 P43166 2/20 0.69
CA4 P22748 2/20 0.69
GSTP1 P09211 1/20 0.50
CDK1 P06493 1/20 0.45
CDK2 P24941 1/20 0.45
KDR P35968 1/20 0.45
MAOA P21397 3/20 0.45
MAOB P27338 3/20 0.45
ADAM17 P78536 4/20 0.43
MMP13 P45452 3/20 0.43
MMP1 P03956 2/20 0.43
MMP9 P14780 2/20 0.43
ACHE P22303 1/20 0.42
PTGS2 P35354 2/20 0.41
MMP2 P08253 1/20 0.41
MMP8 P22894 1/20 0.41

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
SCHEMBL17676471 0.82 CA12 (0.65) CA12CA9CA2CA1CA7
SCHEMBL1118041 0.81 CA12 (0.46) CA12CA9CA2CA1CA7
SCHEMBL15412985 0.81 CA12 (0.69) CA12CA9CA2CA1CA7
SCHEMBL16491168 0.81 CA12 (0.69) CA12CA9CA2CA1CA7
SCHEMBL16491167 0.81 CA2 (1.00) CA12CA9CA2CA1CA7
SCHEMBL7396462 0.80 ADAM17 (0.65) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL5704167 0.79 CA12 (0.63) CA12CA9CA2CA1CA7
SCHEMBL16473958 0.78 CA12 (0.59) CA12CA9CA2CA1CA7
SCHEMBL10951067 0.77 CA12 (0.42) CA12CA9CA2CA1CA7
Hydrochloric Acid SCHEMBL21694040 0.77 CA12 (0.61) CA12CA9CA2CA1CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2617812-B1 COMPOSITION FOR MAINTAINING PLATELET FUNCTION UNIV TOKYO (JP) 2019-03-20 EP disclosed
EP-2185544-B1 N-AZACYCLIC SUBSTITUTED PYRROLE, PYRAZOLE, IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES AS AGONISTS OF THE RUP3 OR GPR119 FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS CYMABAY THERAPEUTICS INC (US) 2014-11-26 EP disclosed
EP-2185544-B1 N-AZACYCLIC SUBSTITUTED PYRROLE, PYRAZOLE, IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES AS AGONISTS OF THE RUP3 OR GPR119 FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS CYMABAY THERAPEUTICS INC (US) 2014-11-26 EP disclosed
US-8846675-B2 N-linked heterocyclic receptor agonists for the treatment of diabetes and metabolic disorders CYMABAY THERAPEUTICS, INC. (US) 2014-09-30 US disclosed
US-8846675-B2 N-linked heterocyclic receptor agonists for the treatment of diabetes and metabolic disorders CYMABAY THERAPEUTICS, INC. (US) 2014-09-30 US disclosed
US-20120322804-A1 N-LINKED HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS METABOLEX INC. 2012-12-20 US disclosed
US-20120322804-A1 N-LINKED HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS METABOLEX INC. 2012-12-20 US disclosed
US-8183381-B2 N-linked heterocyclic receptor agonists for the treatment of diabetes and metabolic disorders METABOLEX INC. (US) 2012-05-22 US disclosed
US-8183381-B2 N-linked heterocyclic receptor agonists for the treatment of diabetes and metabolic disorders METABOLEX INC. (US) 2012-05-22 US disclosed
US-8183381-B2 N-linked heterocyclic receptor agonists for the treatment of diabetes and metabolic disorders METABOLEX INC. (US) 2012-05-22 US disclosed
US-20120053180-A1 CYCLOHEXANE ANALOGUES AS GPR119 AGONISTS CHEMIZON, A DIVISION OF OPTOMAGIC CO., LTD. (KR) 2012-03-01 US disclosed
US-20120053180-A1 CYCLOHEXANE ANALOGUES AS GPR119 AGONISTS CHEMIZON, A DIVISION OF OPTOMAGIC CO., LTD. (KR) 2012-03-01 US disclosed
US-20120053180-A1 CYCLOHEXANE ANALOGUES AS GPR119 AGONISTS CHEMIZON, A DIVISION OF OPTOMAGIC CO., LTD. (KR) 2012-03-01 US disclosed
EP-2185544-A2 N-AZACYCLIC SUBSTITUTED PYRROLE, IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES AS AGONISTS OF THE RUP3 OR GPR119 FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS Metabolex Inc. (US) 2010-05-19 EP disclosed
US-20090137590-A1 N-LINKED HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS METABOLEX INC. 2009-05-28 US disclosed
US-20090137590-A1 N-LINKED HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS METABOLEX INC. 2009-05-28 US disclosed
US-20090137590-A1 N-LINKED HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS METABOLEX INC. 2009-05-28 US disclosed
WO-2009014910-A2 N-AZACYCLIC SUBSTITUTED PYRROLE, PYRAZOLE, IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES AS AGONISTS OF THE RUP3 OR GPR119 RECEPTOR FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS METABOLEX, INC. (US) 2009-01-29 WO disclosed
WO-2009014910-A2 N-AZACYCLIC SUBSTITUTED PYRROLE, PYRAZOLE, IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES AS AGONISTS OF THE RUP3 OR GPR119 RECEPTOR FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS METABOLEX, INC. (US) 2009-01-29 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 (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-20090137590-A1 N-LINKED HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS GPR119, INSR, GLP1R CA12 4029/4885CA9 4171/4885CA2 3201/4885
US-20120053180-A1 CYCLOHEXANE ANALOGUES AS GPR119 AGONISTS GPR119, GLP1R, GIPR CA12 2010/4885CA9 372/4885CA2 251/4885
US-20120322804-A1 N-LINKED HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS GPR119, INSR, GLP1R CA12 4029/4885CA9 4171/4885CA2 3201/4885

“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.