Sugi Predict

Sugi Predict / Compounds / SCHEMBL5452555

SCHEMBL5452555

SCHEMBL5452555

COC(=O)c1ccc(Cl)cc1S(=O)(=O)Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.58
▸ TRPV4 Q9HBA0 1/20 0.51
▸ NR4A2 P43354 2/20 0.48
▸ FLT1 P17948 3/20 0.47
▸ FLT4 P35916 3/20 0.47
▸ KDR P35968 3/20 0.47
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ CA5A P35218 1/20 0.46
▸ SLC6A4 P31645 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43

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
SCHEMBL17078006 0.87 TRPV4 (0.56) ABL1TRPV4NR4A2FLT1FLT4
SCHEMBL5332370 0.85 ABL1 (0.57) ABL1NR4A2FLT1FLT4KDR
SCHEMBL21962924 0.85 CA2 (0.61) ABL1NR4A2FLT1FLT4KDR
SCHEMBL6152074 0.83 KDM4E (0.56) FLT1FLT4KDRCA1CA2
SCHEMBL19194044 0.83 CA1 (0.46) ABL1NR4A2CA1CA2CA9
SCHEMBL30845550 0.82 KDM4E (0.50) ABL1NR4A2FLT1FLT4KDR
SCHEMBL5930965 0.82 CA2 (0.45) ABL1TRPV4CA1CA2CA9
SCHEMBL22827958 0.82 CA1 (0.45) ABL1CA1CA2CA9CA5A
SCHEMBL17078010 0.82 NR4A2 (0.47) ABL1NR4A2CA1CA2CA9
SCHEMBL8898995 0.82 KDM4E (0.50) ABL1NR4A2FLT1FLT4KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114507192-A Preparation method of intermediate for preparing tianeptine sodium 上海微巨实业有限公司 2022-05-17 — — CN claimed
CN-118290309-A Method for continuously preparing compound C by micro-reaction system and application thereof 北京海美桐医药科技有限公司 2024-07-05 — — CN disclosed
US-20240092802-A1 MU-OPIOID RECEPTOR AGONISTS AND USES THEREFOR KURES, INC. 2024-03-21 — — US disclosed
EP-3880666-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-06-28 — — EP disclosed
EP-3880666-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-06-28 — — EP disclosed
US-20230024859-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-01-26 — — US disclosed
US-20230024859-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-01-26 — — US disclosed
US-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2022-10-20 — — US disclosed
EP-3116509-B1 A NEW CLASS OF MU-OPIOID RECEPTOR AGONISTS UNIV COLUMBIA (US) 2022-06-22 — — EP disclosed
CN-114507192-A Preparation method of intermediate for preparing tianeptine sodium 上海微巨实业有限公司 2022-05-17 — — CN disclosed
US-20170217913-A1 A NEW CLASS OF MU-OPIOID RECEPTOR AGONISTS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-08-03 — — US disclosed
WO-2017108723-A2 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2017-06-29 — — WO disclosed
EP-3116509-A1 A NEW CLASS OF MU-OPIOID RECEPTOR AGONISTS The Trustees of Columbia University in the City of New York (US) 2017-01-18 — — EP disclosed
CN-106243046-A Preparation method of mesosulfuron-methyl 南京工业大学 2016-12-21 — — CN disclosed
CN-105503668-A Synthetic method of 4-chloro-2-(N-methyl-N-phenyl sulfamoyl) methyl benzoate JINAN CHENGHUI SHUANGDA CHEMICAL CO LTD 2016-04-20 — — CN disclosed
WO-2015138791-A1 A NEW CLASS OF MU-OPIOID RECEPTOR AGONISTS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-09-17 — — WO disclosed
US-20070197393-A1 TRICYCLIC BENZOYLPYRAZOLE DERIVATIVES WITSCHEL MATTHIAS 2007-08-23 — — US disclosed
US-7115545-B1 Tricyclic benzoylpyrazole derivatives used as a herbicide BASF AKTIENGESELLSCHAFT (DE) 2006-10-03 — — US disclosed
US-6583089-B1 Pre- and postemergence herbicides such as (5,5-dimethyl-1,3-dioxocyclohex-2yl)(6-methoxy-3a,4-dihydro-3H -chromeno(4,3c) isoxazolin-9-yl)methanone, formed by acylation and rearranging in the presence of catalysts BASF AKTIENGESELLSCHAFT (DE) 2003-06-24 — — US disclosed
CN-1358186-A Tricyclic benzoylcylohexanedione derivatives BASF AG (DE) 2002-07-10 — — 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 (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-20240092802-A1 MU-OPIOID RECEPTOR AGONISTS AND USES THEREFOR OPRL1, OPRM1, CDKL5 ABL1 2330/4885TRPV4 1035/4885NR4A2 832/4885
US-20230024859-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 ABL1 3200/4885TRPV4 650/4885NR4A2 579/4885
US-20070197393-A1 TRICYCLIC BENZOYLPYRAZOLE DERIVATIVES CBR3, CBR1, KAT8 ABL1 1344/4885TRPV4 2894/4885NR4A2 140/4885
US-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 ABL1 1918/4885TRPV4 2044/4885NR4A2 313/4885
US-20170217913-A1 A NEW CLASS OF MU-OPIOID RECEPTOR AGONISTS OPRM1, OPRL1, OPRK1 ABL1 1653/4885TRPV4 91/4885NR4A2 283/4885

“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.