SCHEMBL2549992

SCHEMBL2549992

NS(=O)(=O)c1ccc2c(c1)OCCO2

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 9/20 0.61
PKLR P30613 4/20 0.61
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
PTGS1 P23219 3/20 0.60
PTGS2 P35354 3/20 0.60
CA12 O43570 1/20 0.59
CA2 P00918 1/20 0.59
CA9 Q16790 1/20 0.59
HTT P42858 1/20 0.53
GAA P10253 2/20 0.51
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51
HPGD P15428 1/20 0.51

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
SCHEMBL12989734 0.92 CA12 (0.56) PKMPKLRNPC1RAB9APTGS1
SCHEMBL2005036 0.88 CA2 (0.74) PKMPKLRNPC1RAB9APTGS1
SCHEMBL2224714 0.83 PKM (0.65) PKMPKLRNPC1RAB9AHTT
SCHEMBL6153109 0.83 CA2 (0.68) NPC1RAB9APTGS1PTGS2CA12
SCHEMBL13195329 0.82 CA2 (0.53) PKMPKLRNPC1RAB9APTGS1
SCHEMBL13195327 0.82 CA2 (0.53) PKMPKLRNPC1RAB9APTGS1
SCHEMBL13195306 0.80 CA2 (0.55) PKMPKLRNPC1RAB9APTGS1
SCHEMBL13194642 0.80 CA2 (0.51) PKMPKLRNPC1RAB9APTGS1
SCHEMBL2986914 0.80 PKM (0.66) PKMPKLRNPC1RAB9AHTT
SCHEMBL32670216 0.80 PKM (0.61) PKMPKLRNPC1RAB9APTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3675858-B1 IMIDAZO[1,5-A]PYRAZINE COMPOUNDS AND COMPOSITIONS FOR IRE1 INHIBITION OPTIKIRA LLC (US) 2023-04-26 EP claimed
EP-2906216-A2 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS Vitas Pharma Research Private Limited (IN) 2015-08-19 EP claimed
WO-2014057415-A2 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS VITAS PHARMA RESEARCH PVT LTD (IN) 2014-04-17 WO claimed
EP-2040711-A2 2-OXO-1,2-DIHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND USES THEREOF AS ANTIPROLIFERATIVE AGENTS Amphora Discovery Corporation (US) 2009-04-01 EP claimed
WO-2007136592-A2 2-0X0-L,2-DIHYDR0QUIN0LINE DERIVATIVES, COMPOSITIONS, AND USES THEREOF AS ANTIPROLIFERATIVE AGENTS AMPHORA DISCOVERY CORPORATION (US) 2007-11-29 WO claimed
EP-0583960-B1 Synthesis of bicyclic aromatic sulfonic acids, sulfonyl chlorides and sulfonamides LILLY CO ELI (US) 1997-05-21 EP claimed
US-5387681-A Reacting a bicyclic aromatic compound with a complex of sulfur trioxide-N,N-dimethylformamide; water miscible, non-reactive solvent; thionyl halide ELI LILLY AND COMPANY (US) 1995-02-07 US claimed
EP-0583960-A2 Synthesis of bicyclic aromatic sulfonic acids, sulfonyl chlorides and sulfonamides ELI LILLY AND COMPANY (US) 1994-02-23 EP claimed
US-12122742-B2 Small molecule direct inhibitors of KEAP1-NRF2 protein-protein interaction RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2024-10-22 US disclosed
US-20240228463-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME GENENTECH, INC. (US) 2024-07-11 US disclosed
WO-2023028077-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME GENENTECH, INC. (US) 2023-03-02 WO disclosed
US-20220112160-A1 SMALL MOLECULE DIRECT INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2022-04-14 US disclosed
US-9290512-B2 Activators of human pyruvate kinase THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-03-22 US disclosed
US-20150105395-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE US HEALTH (US) 2015-04-16 US disclosed
CN-1013198-B ANTI-TUMOUR SULFONYLUREA DERIV. PREPARING PROCESS LILLY CO ELI (US) 1991-07-17 CN disclosed
EP-0222475-B1 SULFONYL UREAS WITH ANTI-TUMOUR ACTIVITY ELI LILLY AND COMPANY (US) 1989-11-29 EP disclosed
EP-0254577-B1 SYNTHESIS OF BICYCLIC AROMATIC SULFONYL CHLORIDES ELI LILLY AND COMPANY (US) 1989-09-27 EP disclosed
EP-0254577-A1 Synthesis of bicyclic aromatic sulfonyl chlorides ELI LILLY AND COMPANY (US) 1988-01-27 EP disclosed
EP-0222475-A1 Sulfonyl ureas with anti-tumour activity ELI LILLY AND COMPANY (US) 1987-05-20 EP disclosed
CN-86106428-A Anti-tumor method and compound thereof 1987-03-18 CN 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-20150105395-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE PDK2, PDK1, PDK4 PKM 4/4885PKLR 6/4885NPC1 4746/4885
US-20220112160-A1 SMALL MOLECULE DIRECT INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION KEAP1, NFE2L2, HMOX1 PKM 1251/4885PKLR 819/4885NPC1 2758/4885
US-20240228463-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME CACNA1I, CACNA1B, CACNA1C PKM 3806/4885PKLR 4273/4885NPC1 438/4885
US-12122742-B2 Small molecule direct inhibitors of KEAP1-NRF2 protein-protein interaction KEAP1, NFE2L2, HMOX1 PKM 1251/4885PKLR 819/4885NPC1 2758/4885

“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.