Sugi Predict

Sugi Predict / Compounds / SCHEMBL4078722

SCHEMBL4078722

SCHEMBL4078722

O=C=Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.65
▸ CA12 O43570 2/20 0.60
▸ CA9 Q16790 2/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ ATM Q13315 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ ALDH1A1 P00352 4/20 0.56
▸ CA1 P00915 1/20 0.55
▸ CA2 P00918 1/20 0.55
▸ LMNA P02545 2/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ POLB P06746 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ SLC12A2 P55011 1/20 0.51
▸ SLC12A5 Q9H2X9 1/20 0.51
▸ PRMT1 Q99873 1/20 0.51
▸ MAPK1 P28482 1/20 0.49
▸ CYP19A1 P11511 5/20 0.49
▸ HPGD P15428 1/20 0.48

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
SCHEMBL407414 0.80 KEAP1 (1.00) KEAP1CA12CA9CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL3516799 0.78 KEAP1 (0.96) KEAP1CA12CA9CYP1A2CYP3A4
SCHEMBL4075458 0.78 ALDH1A1 (0.58) CA12CA9CYP3A4ALDH1A1CA1
SCHEMBL12550095 0.77 KEAP1 (0.79) KEAP1CA12CA9CYP1A2CYP3A4
SCHEMBL3559019 0.76 KEAP1 (0.71) KEAP1CA12CA9CYP1A2CYP3A4
SCHEMBL2831966 0.76 CYP19A1 (0.78) KEAP1CA12CA9CYP1A2CYP3A4
SCHEMBL12793673 0.76 KEAP1 (0.76) KEAP1CA12CA9CYP1A2CYP3A4
SCHEMBL198318 0.76 CA12 (1.00) KEAP1CA12CA9CYP1A2CYP3A4
SCHEMBL5143984 0.76 KEAP1 (0.76) KEAP1CA12CA9CYP1A2CYP3A4
SCHEMBL151655 0.76 KEAP1 (0.76) KEAP1CA12CA9CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020157199-A1 ANNULATED DIHYDROPYRIDAZINONE COMPOUNDS AS ANTI-CANCER COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2020-08-06 — — WO claimed
US-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-03-07 — — US claimed
EP-3371151-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS Agency For Science, Technology And Research (SG) 2018-09-12 — — EP claimed
WO-2017061957-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-04-13 — — WO claimed
WO-2020157199-A1 ANNULATED DIHYDROPYRIDAZINONE COMPOUNDS AS ANTI-CANCER COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2020-08-06 — — WO disclosed
US-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-03-07 — — US disclosed
EP-3371151-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS Agency For Science, Technology And Research (SG) 2018-09-12 — — EP disclosed
WO-2017061957-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-04-13 — — WO disclosed
US-7592456-B2 Arylsulfonylnaphthalene derivatives as 5HT2A antagonists MERCK SHARP & DOHME LIMITED (GB) 2009-09-22 — — US disclosed
US-20090233878-A1 NOVEL ADENOSINE A3 RECEPTOR AGONISTS CREDIT SUISSE AG 2009-09-17 — — US disclosed
US-20090233878-A1 NOVEL ADENOSINE A3 RECEPTOR AGONISTS CREDIT SUISSE AG 2009-09-17 — — US disclosed
US-20090233878-A1 NOVEL ADENOSINE A3 RECEPTOR AGONISTS CREDIT SUISSE AG 2009-09-17 — — US disclosed
EP-1824817-B1 ARYLSULFONYLNAPHTHALENE DERIVATIVES AS 5HT2A ANTAGONISTS MERCK SHARP & DOHME (GB) 2009-02-04 — — EP disclosed
US-20090012134-A1 Arylsulfonyl Benzofused Heterocycles as 5-Ht2a Antagonists CURTIS NEIL ROY 2009-01-08 — — US disclosed
EP-1866300-A1 ARYLSULFONYL BENZOFUSED HETEROCYCLES AS 5-HT2A ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2007-12-19 — — EP disclosed
US-20070281952-A1 Arylsulfonylnaphthalene Derivatives As 5Ht2a Antagonists MERCK SHARPE & DOHME LIMITED (GB) 2007-12-06 — — US disclosed
EP-1824817-A1 ARYLSULFONYLNAPHTHALENE DERIVATIVES AS 5HT2A ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2007-08-29 — — EP disclosed
WO-2006100519-A1 ARYLSULFONYL BENZOFUSED HETEROCYCLES AS 5-HT2A ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2006-09-28 — — WO disclosed
WO-2006059149-A1 ARYLSULFONYLNAPHTHALENE DERIVATIVES AS 5HT2A ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2006-06-08 — — WO disclosed
US-20050250729-A1 Novel adenosine A3 receptor agonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2005-11-10 — — US 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-20090233878-A1 NOVEL ADENOSINE A3 RECEPTOR AGONISTS ADORA3, ADORA1, ADORA2A KEAP1 2651/4885CA12 4512/4885CA9 3824/4885
US-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS SMYD3, SMYD2, EHMT1 KEAP1 881/4885CA12 3040/4885CA9 1653/4885
US-20050250729-A1 Novel adenosine A3 receptor agonists ADORA3, ADORA2A, ADORA1 KEAP1 4031/4885CA12 4619/4885CA9 4036/4885
US-20090012134-A1 Arylsulfonyl Benzofused Heterocycles as 5-Ht2a Antagonists HTR2A, HTR2C, HTR2B KEAP1 2349/4885CA12 4870/4885CA9 4862/4885
US-20070281952-A1 Arylsulfonylnaphthalene Derivatives As 5Ht2a Antagonists HTR2A, HTR2C, HTR1A KEAP1 3233/4885CA12 4835/4885CA9 4869/4885

“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.