SCHEMBL3280133

SCHEMBL3280133

O=S(=O)(O)c1ccc(OCc2ccccc2)cc1.[NaH]

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.68
CA1 P00915 1/20 0.68
CA2 P00918 1/20 0.68
CA4 P22748 1/20 0.68
CA5A P35218 1/20 0.68
CA7 P43166 1/20 0.68
CA9 Q16790 1/20 0.68
CA5B Q9Y2D0 1/20 0.68
LMNA P02545 1/20 0.59
CYP1A2 P05177 1/20 0.59
PTGS1 P23219 1/20 0.59
SLC6A2 P23975 1/20 0.59
CYP2C19 P33261 1/20 0.59
PTGS2 P35354 1/20 0.59
SLC6A3 Q01959 1/20 0.59
HIF1A Q16665 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
NR4A1 P22736 1/20 0.57
NR4A2 P43354 1/20 0.57
NR4A3 Q92570 1/20 0.57

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
SCHEMBL1424430 0.98 CA12 (0.70) CA12CA1CA2CA4CA5A
Hydrochloric Acid SCHEMBL28119647 0.97 CA12 (0.68) CA12CA1CA2CA4CA5A
SCHEMBL27476966 0.86 ALOX5 (0.61) CA12CA1CA2CA4CA5A
SCHEMBL2331902 0.84 ALOX5 (0.63) CA12CA1CA2CA4CA5A
SCHEMBL7108878 0.84 CA12 (0.74) CA12CA1CA2CA4CA5A
Benzylphenylether SCHEMBL4275393 0.83 LMNA (0.64) CA12CA1CA2CA4CA5A
SCHEMBL6949461 0.83 CA12 (0.69) CA12CA1CA2CA7CA9
SCHEMBL9999620 0.82 CA12 (0.51) CA12CA1CA2CA4CA5A
SCHEMBL10983895 0.82 AR (0.57) CA12CA1CA2CA4CA5A
SCHEMBL28508086 0.82 CA12 (0.72) CA12CA1CA2CA4CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4087369-A SURFACTANTS, BUILDERS, STORAGE STABILITY THE PROCTER & GAMBLE COMPANY (US) 1978-05-02 US claimed
EP-3774777-A2 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE Arvinas Operations, Inc. (US) 2021-02-17 EP disclosed
US-20100152255-A1 Organic Compounds DAMON ROBERT EDSON 2010-06-17 US disclosed
US-7700637-B2 Organic compounds NOVARTIS AG (CH) 2010-04-20 US disclosed
CN-100482649-C Organic compounds NOVARTIS AG (CH) 2009-04-29 CN disclosed
US-20070004704-A1 Such as 6-Methyl-2-[4-(5-methyl-2-phenyl-oxazol-4-ylmethoxy)-benzenesulfonylamino]-benzoic acid which binds Peroxisome Proliferator-Activated Receptors; conditions in which impaired glucose tolerance, hyperglycemia and insulin resistance are implicated, such as type-1 and type-2 diabetes, and Syndrome X NOVARTIS AG (CH) 2007-01-04 US disclosed
CN-1852901-A Organic compounds NOVARTIS AG (CH) 2006-10-25 CN disclosed
EP-1664002-A1 ORGANIC COMPOUNDS Novartis AG (CH) 2006-06-07 EP disclosed
WO-2005026134-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2005-03-24 WO disclosed
CN-1316995-A Hydroxy 2-piperidinoate hydroxamic acid derivatives as MMP inhibitors PFIZER PROD INC (US) 2001-10-10 CN disclosed
US-5677112-A USING AN ANTHRACENE COMPOUND WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-14 US disclosed
US-5576359-A ANTHRACENE DERIVATIVE, SOLVENT, COMPOUND CONTAINING GLYCIDYL GROUPS WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1996-11-19 US disclosed
EP-0636941-B1 Deep ultraviolet absorbent and its use in pattern formation WAKO PURE CHEM IND LTD (JP) 1996-03-20 EP disclosed
US-5444056-A Hypotensive agnets, calcium channel blockers SANOFI (FR) 1995-08-22 US disclosed
EP-0636941-A1 Deep ultraviolet absorbent and its use in pattern formation WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1995-02-01 EP disclosed
US-5258132-A Stability, alkali resistance; liquid automatic dishwasher detergent LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1993-11-02 US disclosed
US-5230822-A Cleaning LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1993-07-27 US disclosed
US-5200236-A Spraying molten wax in a fluidized bed LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1993-04-06 US disclosed
US-4829079-A AMNESIA ROUSSEL UCLAF (FR) 1989-05-09 US disclosed
US-4087369-A SURFACTANTS, BUILDERS, STORAGE STABILITY THE PROCTER & GAMBLE COMPANY (US) 1978-05-02 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-20100152255-A1 Organic Compounds PPARG, FABP2, PPARA CA12 4508/4885CA1 4431/4885CA2 3311/4885
US-20070004704-A1 Such as 6-Methyl-2-[4-(5-methyl-2-phenyl-oxazol-4-ylmethoxy)-benzenesulfonylamino]-benzoic acid which binds Peroxisome Proliferator-Activated Receptors; conditions in which impaired glucose tolerance, hyperglycemia and insulin resistance are implicated, such as type-1 and type-2 diabetes, and Syndrome X PPARG, GPR119, PPARA CA12 4831/4885CA1 4653/4885CA2 3811/4885

“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.