SCHEMBL45019

SCHEMBL45019

NS(=O)(=O)c1ccccc1S(=O)(=O)NO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 15/20 0.55
CA1 P00915 14/20 0.55
MMP1 P03956 4/20 0.55
MMP2 P08253 4/20 0.55
MMP9 P14780 4/20 0.55
MMP8 P22894 4/20 0.55
MMP13 P45452 4/20 0.55
PTGES O14684 1/20 0.51
CA9 Q16790 7/20 0.50
CA6 P23280 3/20 0.50
CA5A P35218 3/20 0.50
CA4 P22748 2/20 0.50
CA12 O43570 2/20 0.50
CA7 P43166 2/20 0.50
CA5B Q9Y2D0 2/20 0.50
CYP2C9 P11712 1/20 0.50
CA14 Q9ULX7 1/20 0.50
LDHA P00338 1/20 0.44
CDK2 P24941 1/20 0.44
PTGES2 Q9H7Z7 1/20 0.42

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
SCHEMBL202947 0.81 CA2 (0.70) CA2CA1CA9CA6CA5A
SCHEMBL10699531 0.80 CA1 (0.57) CA2CA1MMP1MMP2MMP9
SCHEMBL7195481 0.80 CA2 (0.57) CA2CA1MMP1MMP2MMP9
SCHEMBL14900178 0.78 GAA (0.58) CA2CA1MMP1MMP2MMP9
Cxl-1020 SCHEMBL1767680 0.78 CA1 (0.55) CA2CA1MMP1MMP2MMP9
SCHEMBL1767645 0.78 CA1 (0.56) CA2CA1MMP1MMP2MMP9
SCHEMBL1224131 0.78 CA2 (0.50) CA2CA1PTGESCA9CA6
SCHEMBL10750176 0.78 CA2 (0.67) CA2CA1CA9CA6CA5A
SCHEMBL10749655 0.78 CA2 (0.67) CA2CA1CA9CA6CA5A
SCHEMBL10750170 0.78 CA2 (0.67) CA2CA1CA9CA6CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805043-A Preparation method and system of cyclopentanone 中国石油化工股份有限公司 2022-07-29 CN claimed
CN-114805042-A Method and system for preparing cyclopentanone and application thereof 中国石油化工股份有限公司 2022-07-29 CN claimed
CN-114805043-A Preparation method and system of cyclopentanone 中国石油化工股份有限公司 2022-07-29 CN disclosed
CN-114805042-A Method and system for preparing cyclopentanone and application thereof 中国石油化工股份有限公司 2022-07-29 CN disclosed
CN-114057620-A Method and system for preparing hydrogen peroxide cyclopentylbenzene by cyclopentene 中国石油化工股份有限公司 2022-02-18 CN disclosed
US-11213804-B2 Dehydrogenation catalysts and methods of making and using the same EXXONMOBIL CHEMICAL PATENTS INC. (US) 2022-01-04 US disclosed
CN-113698332-A Method for preparing hydrogen peroxide cyclopentylbenzene from cyclopentylbenzene 中国石油化工股份有限公司 2021-11-26 CN disclosed
EP-3327003-B1 PROCESS FOR CONCENTRATING A MIXTURE CONTAINING ORGANIC HYDROPEROXIDE EXXONMOBIL CHEMICAL PATENTS INC (US) 2020-09-16 EP disclosed
CN-105102119-B process for preparing alkylated aromatic compounds 埃克森美孚化学专利公司 2019-12-06 CN disclosed
EP-3180304-B1 PROCESS FOR PRODUCING CYCLOHEXANONE EXXONMOBIL CHEMICAL PATENTS INC (US) 2019-10-30 EP disclosed
US-20190283002-A1 Dehydrogenation Catalysts and Methods of Making and Using the Same EXXONMOBIL CHEMICAL PATENTS INC. 2019-09-19 US disclosed
WO-2006015826-A1 PROCESS FOR PRODUCING PHENOL AND METHYL ETHYL KETONE EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2006-02-16 WO disclosed
WO-2006015824-A1 PROCESS FOR PRODUCING SEC-BUTYL BENZENE EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-02-16 WO disclosed
WO-2006015825-A1 PRODUCTION OF BISPHENOL-A EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-02-16 WO disclosed
US-6852893-B2 Method for oxidizing hydrocarbons CREAVIS GESELLSCHAFT FUER TECHNOLOGIE AND INNOVATION MBH (DE) 2005-02-08 US disclosed
US-20040249197-A1 Method for producing saturated alcohols, ketones, aldehydes and carboxylic acids DEGUSSA AG (DE) 2004-12-09 US disclosed
US-6720462-B2 VIA CATALYTIC OXIDATION OF AROMATIC HYDROCARBON TO HYDROPEROXIDE WHICH IS CLEAVED TO FORM PHENOL DERVIVATIVE AND KETONE DEGUSSA AG (DE) 2004-04-13 US disclosed
US-20030176733-A1 Method for oxidizing hydrocarbons CREAVIS GESELLSCHAFT FUER TECHNOLOGIE UND INNOVATION MBH (DE) 2003-09-18 US disclosed
US-20030083527-A1 Method for producing aromatic alcohols, especially phenol CREAVIS GESELLSCHAFT FUER TECHNOLOGY UND INNOVATION MBH (DE) 2003-05-01 US disclosed
EP-0285978-A2 Substituted 1-(2-oxyaminosulfonyl-phenylsulfonyl)-3-(4-trifluoromethyl-pyrimidin-2-yl)-(thio)-ureas BAYER AG (DE) 1988-10-12 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-20030176733-A1 Method for oxidizing hydrocarbons CBR1, CBR3, SCO2 CA2 1299/4885CA1 859/4885MMP1 2208/4885
US-11213804-B2 Dehydrogenation catalysts and methods of making and using the same IDH2, ADH4, IDH1 CA2 204/4885CA1 16/4885MMP1 1295/4885
US-20030083527-A1 Method for producing aromatic alcohols, especially phenol CYP2E1, AOC2, ADH1C CA2 2375/4885CA1 2170/4885MMP1 2580/4885
US-20040249197-A1 Method for producing saturated alcohols, ketones, aldehydes and carboxylic acids CBR1, CYP2E1, AOX1 CA2 1047/4885CA1 503/4885MMP1 3404/4885
US-20190283002-A1 Dehydrogenation Catalysts and Methods of Making and Using the Same IDH2, ADH4, IDH1 CA2 204/4885CA1 16/4885MMP1 1295/4885

“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.