SCHEMBL3583413

SCHEMBL3583413

CC(C)(C)NS(=O)(=O)c1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.50
ALDH1A1 P00352 2/20 0.50
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HSD11B1 P28845 3/20 0.47
EDNRA P25101 2/20 0.46
MCL1 Q07820 1/20 0.46
PGR P06401 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PKM P14618 1/20 0.45

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
SCHEMBL2803354 0.85 NSD2 (0.58) NSD2ALDH1A1KDM4EMEN1NPC1
SCHEMBL15560488 0.85 NSD2 (0.51) NSD2GAATSHRPGRKDM4E
SCHEMBL22648418 0.82 PARG (0.50) ALDH1A1GAATSHRHSD17B10L3MBTL1
SCHEMBL8908300 0.82 NSD2 (0.49) NSD2ALDH1A1HSD11B1KDM4EMEN1
SCHEMBL14676017 0.80 SLC1A3 (0.49) ALDH1A1GAATSHRHSD17B10L3MBTL1
SCHEMBL12932761 0.80 LMNA (0.50) NSD2ALDH1A1GAATSHRMCL1
SCHEMBL2371935 0.79 GAA (0.58) ALDH1A1GAATSHRHSD17B10L3MBTL1
SCHEMBL6928314 0.79 ALDH1A1 (0.56) ALDH1A1GAATSHRHSD17B10L3MBTL1
SCHEMBL21690364 0.78 DUT (0.56) ALDH1A1GAATSHRHSD17B10L3MBTL1
SCHEMBL23345388 0.78 NSD2 (0.51) NSD2ALDH1A1KDM4EMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220194945-A1 Imidazolopyridine Compounds For IRE1 Inhibition Optikira, LLC 2022-06-23 US disclosed
US-20220153734-A1 Pyrazolopyridine Compounds For IRE1 Inhibition Optikira, LLC 2022-05-19 US disclosed
US-20200354367-A1 COMPOUNDS AND COMPOSITIONS FOR IRE1 INHIBITION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-11-12 US disclosed
US-20110015185-A1 Benzofuran Compounds BIOVITRUM AB (SE) 2011-01-20 US disclosed
US-7820675-B2 Benzofuran compounds BIOVITRUM AB (SE) 2010-10-26 US disclosed
US-7820675-B2 Benzofuran compounds BIOVITRUM AB (SE) 2010-10-26 US disclosed
US-7674810-B2 1,1-dioxo-1H-1Λ6-benzo[d]isothiazol-3-yl)-4-hydroxy-1,5-dihydro-pyrrol-2-one inhibitors of HCV polymerase ROCHE PALO ALTO LLC (US) 2010-03-09 US disclosed
CN-101189230-A Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (CH) 2008-05-28 CN disclosed
EP-1879885-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-Roche AG (CH) 2008-01-23 EP disclosed
US-20060252785-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2006-11-09 US disclosed
US-4867781-A PRE- AND POSTEMERGENCE HERBICIDES; NONPHYTOTOXIC E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-09-19 US disclosed
US-4842639-A HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-06-27 US disclosed
US-4802911-A HERBICIDES, PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-02-07 US disclosed
EP-0107979-B1 NOVEL PHENYL-SUBSTITUTED SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-10-12 EP disclosed
US-4741761-A HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-05-03 US disclosed
US-4643761-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-02-17 US disclosed
US-4620870-A HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-11-04 US disclosed
US-4586950-A HERBICIDES E. I. DU PONT DE NEMOURS & COMPANY (US) 1986-05-06 US disclosed
EP-0166516-A2 Novel phenyl-subsituted sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1986-01-02 EP disclosed
EP-0107979-A1 Novel phenyl-substituted sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-05-09 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 (5 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-20200354367-A1 COMPOUNDS AND COMPOSITIONS FOR IRE1 INHIBITION XBP1, RNASE1, ERN1 NSD2 4236/4885ALDH1A1 2682/4885GAA 548/4885
US-20060252785-A1 Heterocyclic antiviral compounds EIF2AK2, HAVCR2, POLR2E NSD2 161/4885ALDH1A1 431/4885GAA 925/4885
US-20220194945-A1 Imidazolopyridine Compounds For IRE1 Inhibition XBP1, ERN2, ERN1 NSD2 3602/4885ALDH1A1 2541/4885GAA 1410/4885
US-20220153734-A1 Pyrazolopyridine Compounds For IRE1 Inhibition XBP1, ERN1, ERN2 NSD2 3784/4885ALDH1A1 2438/4885GAA 1578/4885
US-20110015185-A1 Benzofuran Compounds HTR6, HTR1F, HTR1A NSD2 2207/4885ALDH1A1 353/4885GAA 2323/4885

“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.