SCHEMBL8075375

SCHEMBL8075375

COC(=O)c1ccc(F)c(S(N)(=O)=O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.51
CA2 P00918 7/20 0.51
CA9 Q16790 7/20 0.51
CA12 O43570 5/20 0.51
CA14 Q9ULX7 4/20 0.51
XDH P47989 2/20 0.50
CA7 P43166 1/20 0.50
PKM P14618 2/20 0.49
CA5A P35218 1/20 0.49
STS P08842 1/20 0.49
ACLY P53396 1/20 0.48
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 4/20 0.47
HPGD P15428 3/20 0.47
GAA P10253 3/20 0.47
MAPT P10636 2/20 0.46
HSD17B10 Q99714 2/20 0.46
GLA P06280 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46

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
SCHEMBL2776655 0.87 CA1 (0.51) CA1CA2CA9CA12CA14
SCHEMBL1110755 0.85 VCAM1 (0.56) CA1CA2CA9CA12CA14
SCHEMBL30695462 0.84 ACLY (0.51) CA1CA2CA9CA12CA14
SCHEMBL19475371 0.84 ACLY (0.51) CA1CA2CA9CA12CA14
SCHEMBL21962449 0.83 CA2 (0.54) CA1CA2CA9CA12CA14
SCHEMBL31704382 0.83 ACLY (0.47) CA1CA2CA9CA12CA14
SCHEMBL21623272 0.82 ALDH1A1 (0.56) CA1CA2CA9CA12CA14
SCHEMBL11372105 0.82 CA1 (0.63) CA1CA2CA9CA12CA14
SCHEMBL13545951 0.82 CA1 (0.53) CA1CA2CA9CA12CA14
SCHEMBL9084469 0.82 CA1 (0.53) CA1CA2CA9CA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58192820-A None JP disclosed
US-11597706-B2 Compounds and compositions for treating conditions associated with NLRP activity NOVARTIS AG (CH) 2023-03-07 US disclosed
US-11597706-B2 Compounds and compositions for treating conditions associated with NLRP activity NOVARTIS AG (CH) 2023-03-07 US disclosed
EP-3445756-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2022-07-06 EP disclosed
EP-3445756-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2022-07-06 EP disclosed
US-20190119203-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2019-04-25 US disclosed
US-20190119203-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2019-04-25 US disclosed
EP-2838519-B1 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS AND VIRAL INFECTIONS UNIV COLLEGE DUBLIN NAT UNIV OF IRELAND DUBLIN (IE) 2017-11-22 EP disclosed
EP-2838519-B1 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS AND VIRAL INFECTIONS UNIV COLLEGE DUBLIN NAT UNIV OF IRELAND DUBLIN (IE) 2017-11-22 EP disclosed
WO-2017184623-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY IFM THERAPEUTICS, INC (US) 2017-10-26 WO disclosed
EP-2838520-A2 THROMBOXANE RECEPTOR ANTAGONISTS University College Dublin National University Of Ireland, Dublin (IE) 2015-02-25 EP disclosed
EP-2838519-A2 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS AND VIRAL INFECTIONS University College Dublin National University Of Ireland, Dublin (IE) 2015-02-25 EP disclosed
WO-2013156871-A9 THROMBOXANE RECEPTOR ANTAGONISTS UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2015-01-08 WO disclosed
WO-2013156871-A9 THROMBOXANE RECEPTOR ANTAGONISTS UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2015-01-08 WO disclosed
WO-2013156871-A2 THROMBOXANE RECEPTOR ANTAGONISTS UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2013-10-24 WO disclosed
WO-2013156861-A2 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS AND VIRAL INFECTIONS UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2013-10-24 WO disclosed
US-6057322-A USEFUL IN TREATMENT OF CARDIOVASCULAR DISEASES HOECHST AKTIENGESELLSCHAFT (DE) 2000-05-02 US disclosed
US-5292755-A USPA benzolyguanidines HOECHST AKTIENGESELLSCHAFT (DE) 1994-03-08 US disclosed
US-5091394-A BENZOYLGUANIDINES, A PROCESS FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND MEDICAMENTS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-25 US disclosed
JP-S58192820-A ANTIVIRAL MEDICINAL COMPOSITION MOCHIDA PHARMACEUT CO LTD 1983-11-10 JP 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-11597706-B2 Compounds and compositions for treating conditions associated with NLRP activity NLRP1, NLRP3, NOD1 CA1 4294/4885CA2 2191/4885CA9 3437/4885
US-20190119203-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 CA1 4294/4885CA2 2191/4885CA9 3437/4885

“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.