SCHEMBL862980

SCHEMBL862980

COc1ccc(S(C)(=O)=O)cc1OC

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.73
TSHR P16473 1/20 0.73
MAPK1 P28482 1/20 0.73
SMN1; SMN2 Q16637 2/20 0.71
PTGS2 P35354 3/20 0.58
LMNA P02545 2/20 0.58
HTT P42858 1/20 0.58
CA12 O43570 1/20 0.54
CA9 Q16790 1/20 0.54
GPBAR1 Q8TDU6 1/20 0.54
FFAR4 Q5NUL3 1/20 0.53
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
KEAP1 Q14145 1/20 0.51
NFE2L2 Q16236 1/20 0.51
PTGS1 P23219 1/20 0.50

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
SCHEMBL28826184 0.86 POLB (0.56) POLBTSHRMAPK1SMN1; SMN2PTGS2
SCHEMBL15210310 0.85 SMN1; SMN2 (0.59) POLBTSHRMAPK1SMN1; SMN2PTGS2
SCHEMBL5715568 0.84 PTGS2 (0.69) POLBTSHRMAPK1SMN1; SMN2PTGS2
SCHEMBL7412893 0.83 SMN1; SMN2 (0.67) POLBTSHRMAPK1SMN1; SMN2PTGS2
SCHEMBL12180600 0.83 SMN1; SMN2 (0.61) POLBTSHRMAPK1SMN1; SMN2PTGS2
SCHEMBL12427553 0.83 POLB (0.61) POLBTSHRMAPK1SMN1; SMN2PTGS2
SCHEMBL23420352 0.82 SMN1; SMN2 (0.59) POLBTSHRMAPK1SMN1; SMN2PTGS2
SCHEMBL358860 0.82 SMN1; SMN2 (0.59) POLBTSHRMAPK1SMN1; SMN2PTGS2
SCHEMBL13211247 0.82 SMN1; SMN2 (0.59) POLBTSHRMAPK1SMN1; SMN2PTGS2
SCHEMBL22537146 0.82 SMN1; SMN2 (0.65) POLBTSHRMAPK1SMN1; SMN2PTGS2

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 97 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112390736-B Preparation method of methyl sulfone compound 温州大学 2022-07-08 CN disclosed
US-20210032265-A1 COMPOSITIONS AND METHODS OF MODULATING 15-PGDH ACTIVITY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-02-04 US disclosed
US-20180222906-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY 2018-08-09 US disclosed
US-20180222906-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY 2018-08-09 US disclosed
US-9938275-B2 Substituted imidazoquinolines, imidazopyridines, and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-04-10 US disclosed
US-9938275-B2 Substituted imidazoquinolines, imidazopyridines, and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-04-10 US disclosed
US-20170129891-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES CO (US) 2017-05-11 US disclosed
US-20170129891-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES CO (US) 2017-05-11 US disclosed
US-9550773-B2 Substituted imidazoquinolines, imidazopyridines, and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-01-24 US disclosed
US-9550773-B2 Substituted imidazoquinolines, imidazopyridines, and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-01-24 US disclosed
US-20030153788-A1 Oxidizing an amino alcohol (obtained by ring opening the epoxy, aziding, reducing and reacting it with a carboxylic acid); stereoselectivity; protease inhibitors: antiallergens; anticarcinogenic and hypotensive agents SEIKAGAKU CORPORATION (JP) 2003-08-14 US disclosed
CN-1114834-A antidiabetic agent OTSUKA PHARMA CO LTD (JP) 1996-01-10 CN disclosed
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 WO disclosed
US-5385914-A Cardiotonic carbostyril agents for treating heart ailments OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-01-31 US disclosed
EP-0355583-B1 Cardiotonics OTSUKA PHARMA CO LTD (JP) 1995-01-25 EP disclosed
US-5266577-A Method of treating congestive heart failure using carbostyril derivatives OTSUKA PHARMACEUTICAL COMPANY LTD. (JP) 1993-11-30 US disclosed
US-5198448-A Cardiovascular disorders OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1993-03-30 US disclosed
US-5053514-A Side effect reduction; carbostyril derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1991-10-01 US disclosed
EP-0355583-A2 Cardiotonics OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-02-28 EP 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 (4 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-20180222906-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES IL2, IFNG, IL4 POLB 2560/4885TSHR 2171/4885MAPK1 2169/4885
US-20030153788-A1 Oxidizing an amino alcohol (obtained by ring opening the epoxy, aziding, reducing and reacting it with a carboxylic acid); stereoselectivity; protease inhibitors: antiallergens; anticarcinogenic and hypotensive agents REN, KDM8, CMA1 POLB 3109/4885TSHR 2196/4885MAPK1 871/4885
US-20210032265-A1 COMPOSITIONS AND METHODS OF MODULATING 15-PGDH ACTIVITY PTGS1, HPGD, PTGIS POLB 1826/4885TSHR 3873/4885MAPK1 3034/4885
US-20170129891-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES IL2, IFNG, IL4 POLB 2560/4885TSHR 2171/4885MAPK1 2169/4885

“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.