Sugi Predict

Sugi Predict / Compounds / SCHEMBL408280

SCHEMBL408280

SCHEMBL408280

CS(=O)(=O)c1nnc(-c2ccccc2)o1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.57
▸ NPC1 O15118 6/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ CA1 P00915 3/20 0.53
▸ CA2 P00918 3/20 0.53
▸ MAOB P27338 2/20 0.53
▸ MAOA P21397 1/20 0.53
▸ HPGD P15428 3/20 0.52
▸ POLB P06746 1/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ NFKB2 Q00653 1/20 0.52
▸ RELA Q04206 1/20 0.52
▸ NOTUM Q6P988 2/20 0.51
▸ THRB P10828 1/20 0.50
▸ GSK3B P49841 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ CA13 Q8N1Q1 1/20 0.49
▸ ATAD2 Q6PL18 1/20 0.48
▸ KDM4E B2RXH2 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
SCHEMBL27970853 0.86 PTGS2 (0.50) RAB9ANPC1SMN1; SMN2CA1CA2
SCHEMBL9681661 0.84 NPC1 (0.55) RAB9ANPC1SMN1; SMN2CA1CA2
SCHEMBL18050863 0.82 NOTUM (0.49) RAB9ACA1CA2MAOBMAOA
SCHEMBL28550831 0.82 NPC1 (0.53) RAB9ANPC1SMN1; SMN2CA1CA2
SCHEMBL25699690 0.82 NOTUM (0.52) RAB9ACA1CA2MAOBMAOA
SCHEMBL23734594 0.82 NOTUM (0.52) RAB9ANPC1SMN1; SMN2POLBNOTUM
SCHEMBL8590849 0.82 KDM4E (0.60) RAB9ANPC1SMN1; SMN2MAOBMAOA
SCHEMBL7829176 0.82 RAB9A (0.60) RAB9ANPC1SMN1; SMN2MAOBMAOA
SCHEMBL22862410 0.82 RAB9A (0.60) RAB9ANPC1SMN1; SMN2CA1CA2
SCHEMBL28798361 0.82 NOTUM (0.52) RAB9ANPC1SMN1; SMN2CA2HPGD

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
CN-103864711-A Heterocyclic compound containing bis(2-substituted sulfonyl-1,3,4-oxadiazole-5-radical) and application thereof GAUNGXI TIANYUAN BIOCHEMISTRY 2014-06-18 — — CN claimed
WO-2023109965-A1 CAMPTOTHECIN COMPOUND AND CONJUGATE THEREOF 迈威(上海)生物科技股份有限公司 2023-06-22 — — WO disclosed
US-20220235316-A1 Novel Hydrogels LEIBNIZ-INSTITUT FÜR NEUE MATERIALIEN GEMEINNÜTZIGE GMBH (DE) 2022-07-28 — — US disclosed
EP-3994202-A1 NOVEL HYDROGELS Leibniz-Institut für Neue Materialien gemeinnützige GmbH (DE) 2022-05-11 — — EP disclosed
WO-2021001203-A1 NOVEL HYDROGELS LEIBNIZ-INSTITUT FÜR NEUE MATERIALIEN GEMEINNÜTZIGE GMBH (DE) 2021-01-07 — — WO disclosed
US-20200140425-A1 COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS MASSACHUSETTS GENERAL HOSPITAL 2020-05-07 — — US disclosed
US-10570385-B2 Method for non-enzymatic combination of nucleic acid chains JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2020-02-25 — — US disclosed
US-10301294-B2 Compounds for the treatment of tuberculosis The Broad Institute Inc. (US) 2019-05-28 — — US disclosed
US-20170283787-A1 METHOD FOR NON-ENZYMATIC COMBINATION OF NUCLEIC ACID CHAINS JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2017-10-05 — — US disclosed
US-20170283787-A1 METHOD FOR NON-ENZYMATIC COMBINATION OF NUCLEIC ACID CHAINS JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2017-10-05 — — US disclosed
WO-2014165090-A1 COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS THE BROAD INSTITUTE, INC. (US) 2014-10-09 — — WO disclosed
WO-2014144878-A2 NOVEL THIOL & AMINO MODIFYING REAGENTS FOR PROTEIN CHEMISTRY AND METHODS OF USE THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2014-09-18 — — WO disclosed
CN-103864711-A Heterocyclic compound containing bis(2-substituted sulfonyl-1,3,4-oxadiazole-5-radical) and application thereof GAUNGXI TIANYUAN BIOCHEMISTRY 2014-06-18 — — CN disclosed
CN-102079730-B Derivatives containing 2, 5-substituted heterocyclic radical sulphone and synthesis method and application thereof UNIV GUIZHOU 2013-10-16 — — CN disclosed
CN-102499247-A Oxadiazole sulfone compound for controlling bacterial crop diseases UNIV GUIZHOU 2012-06-20 — — CN disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 — — US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 — — US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 — — US disclosed
CN-102079730-A Derivatives containing 2, 5-substituted heterocyclic radical sulphone and synthesis method and application thereof UNIV GUIZHOU 2011-06-01 — — CN disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 — — WO 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-10301294-B2 Compounds for the treatment of tuberculosis GOT2, G6PD, FNTB RAB9A 3054/4885NPC1 507/4885SMN1; SMN2 4593/4885
US-20200140425-A1 COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS GOT2, G6PD, FNTB RAB9A 3054/4885NPC1 507/4885SMN1; SMN2 4593/4885
US-10570385-B2 Method for non-enzymatic combination of nucleic acid chains RNGTT, NSUN2, POLRMT RAB9A 4586/4885NPC1 4471/4885SMN1; SMN2 2107/4885
US-20170283787-A1 METHOD FOR NON-ENZYMATIC COMBINATION OF NUCLEIC ACID CHAINS RNGTT, POLRMT, DNTT RAB9A 4551/4885NPC1 3378/4885SMN1; SMN2 3043/4885
US-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT RAB9A 1525/4885NPC1 142/4885SMN1; SMN2 2301/4885

“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.