SCHEMBL8305896

SCHEMBL8305896

CN(C)C(=O)c1cccc(S(C)(=O)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.53
AKR1C3 P42330 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 3/20 0.50
GAA P10253 2/20 0.50
HSD17B10 Q99714 1/20 0.50
HSD11B1 P28845 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NAMPT P43490 1/20 0.44
ERN1 O75460 1/20 0.43
KIF11 P52732 1/20 0.43
SIRT2 Q8IXJ6 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL7777374 0.86 AKR1C3 (0.56) LOXAKR1C3SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL3232938 0.84 LOX (0.56) LOXAKR1C3HSD11B1ERN1KIF11
SCHEMBL2822445 0.84 LOX (0.52) LOXAKR1C3SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL4871322 0.83 SMN1; SMN2 (0.47) LOXAKR1C3SMN1; SMN2ALDH1A1GAA
SCHEMBL21893019 0.81 LOX (0.50) LOXAKR1C3SMN1; SMN2ALDH1A1HSD11B1
SCHEMBL21893017 0.81 LOX (0.53) LOXAKR1C3SMN1; SMN2HSD11B1MEN1
SCHEMBL20364683 0.81 LOX (0.50) LOXAKR1C3SMN1; SMN2ALDH1A1GAA
SCHEMBL22836941 0.81 LMNA (0.53) LOXAKR1C3ALDH1A1MEN1KMT2A
SCHEMBL27781055 0.81 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1GAAHSD17B10LMNA
SCHEMBL7406706 0.80 MEN1 (0.55) LOXAKR1C3SMN1; SMN2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11000515-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-05-11 US disclosed
WO-2020102576-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed
US-20200061037-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-02-27 US disclosed
US-10308605-B2 Proton pump inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-06-04 US disclosed
EP-2336107-B1 Proton pump inhibitors TAKEDA PHARMACEUTICAL (JP) 2015-09-23 EP disclosed
EP-1803709-B1 PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2013-01-02 EP disclosed
US-8048909-B2 Proton pump inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-01 US disclosed
EP-1944305-B1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LTD (GB) 2011-10-19 EP disclosed
US-20110028476-A1 PROTON PUMP INHIBITORS KAJINO MASAHIRO 2011-02-03 US disclosed
US-20090312325-A1 Quinoline Derivatives As Phosphodiesterase Inhibitors BALDWIN IAN ROBERT 2009-12-17 US disclosed
EP-1803709-A1 PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2007-07-04 EP disclosed
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
WO-2004103998-A1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-02 WO disclosed
EP-0041711-B1 6-CHLORO- OR 6-BROMO-1,2-DIHYDRO-3H-PYRROLO(1,2-A)-PYRROLE-1-CARBOXYLIC ACIDS AND DERIVATIVES THEREOF, PROCESS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYNTEX (U.S.A.) INC. (US) 1985-04-17 EP disclosed
US-4410534-A 3-Substituted-5,6,7,8-tetrahydropyrrolo[1,2-a]-pyridine-and 6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]-azepine carboxylic acid derivatives useful as blood platelet aggregation inhibitors SYNTEX (U.S.A.) INC. (US) 1983-10-18 US disclosed
US-4344943-A ANALGESICS, ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) INC. (US) 1982-08-17 US disclosed
EP-0041711-A1 6-Chloro- or 6-bromo-1,2-dihydro-3H-pyrrolo(1,2-a)-pyrrole-1-carboxylic acids and derivatives thereof, process for their production and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1981-12-16 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 (7 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-11000515-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS LOX 2465/4885AKR1C3 2755/4885SMN1; SMN2 3555/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 LOX 2679/4885AKR1C3 1458/4885SMN1; SMN2 4075/4885
US-20090312325-A1 Quinoline Derivatives As Phosphodiesterase Inhibitors PDE3B, PDE4B, PDE4A LOX 2370/4885AKR1C3 1637/4885SMN1; SMN2 3054/4885
US-20200061037-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS LOX 2465/4885AKR1C3 2755/4885SMN1; SMN2 3555/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 LOX 2279/4885AKR1C3 1403/4885SMN1; SMN2 4245/4885
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A LOX 2370/4885AKR1C3 1637/4885SMN1; SMN2 3054/4885
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A LOX 2370/4885AKR1C3 1637/4885SMN1; SMN2 3054/4885

“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.