SCHEMBL2323729

SCHEMBL2323729

O=S(=O)(OS(=O)(=O)c1cccc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA9 Q16790 1/20 0.61
F2 P00734 3/20 0.50
PRSS1 P07477 3/20 0.50
PRSS2 P07478 3/20 0.50
PRSS3 P35030 3/20 0.50
HTR6 P50406 3/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PGR P06401 1/20 0.46
HCRTR1 O43613 1/20 0.45
TSHR P16473 2/20 0.44
AKR1B1 P15121 1/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 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
SCHEMBL31286100 1.00 CA1 (0.61) CA1CA2CA9F2PRSS1
SCHEMBL11440044 0.92 CA1 (0.57) CA1CA2CA9F2PRSS1
SCHEMBL10766580 0.91 CA1 (0.52) CA1CA2CA9F2PRSS1
SCHEMBL28479851 0.88 CA1 (0.53) CA1CA2CA9F2PRSS1
SCHEMBL5544560 0.88 CA1 (0.53) CA1CA2CA9F2PRSS1
SCHEMBL6065014 0.88 CA1 (0.53) CA1CA2CA9F2PRSS1
Silver SCHEMBL29776718 0.86 CA1 (0.55) CA1CA2CA9F2PRSS1
SCHEMBL598024 0.85 CA1 (0.50) CA1CA2CA9F2PRSS1
SCHEMBL724542 0.85 CA1 (0.59) CA1CA2CA9F2PRSS1
SCHEMBL25255094 0.85 HTR6 (0.46) CA1CA2CA9F2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240309012-A1 ISOQUINOLINE COMPOUND, MANUFACTURING METHOD THEREFOR, AND APPLICATION THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2024-09-19 US disclosed
CN-117177979-A Cyclic dibenzyl tetrahydroisoquinoline compound and preparation method and application thereof 中国科学院上海药物研究所 2023-12-05 CN disclosed
US-11731965-B2 Tetrahydroprotoberberine compound, preparation method therefor and uses thereof, and pharmaceutical composition SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-08-22 US disclosed
WO-2023104213-A1 CYCLIC BISBENZYL TETRAHYDROISOQUINOLINE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海药物研究所 2023-06-15 WO disclosed
CN-116253740-A Cyclic dibenzyl isoquinoline compound and preparation method and application thereof 中国科学院上海药物研究所 2023-06-13 CN disclosed
CN-114375293-A Isoquinoline compounds and preparation method and application thereof 中国科学院上海药物研究所 2022-04-19 CN disclosed
CN-109384780-B Tetrahydro-protoberberine compounds, preparation method, application and pharmaceutical composition thereof 中国科学院上海药物研究所 2022-04-08 CN disclosed
CN-113337602-A Methods of treatment and biomarkers for MDM2 inhibitors 苏州亚盛药业有限公司 2021-09-03 CN disclosed
US-20200255421-A1 TETRAHYDROPROTOBERBERINE COMPOUND, PREPARATION METHOD THEREFOR AND USES THEREOF, AND PHARMACEUTICAL COMPOSITION TOPHARMAN SHANGHAI CO., LTD. (CN) 2020-08-13 US disclosed
EP-3670511-A1 TETRAHYDROPROTOBERBERINE COMPOUND, PREPARATION METHOD THEREFOR AND USES THEREOF, AND PHARMACEUTICAL COMPOSITION Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2020-06-24 EP disclosed
EP-2463281-A1 METHOD FOR PRODUCING CYCLIC SULFONIC ACID ESTER AND INTERMEDIATE THEREOF Wako Pure Chemical Industries, Ltd. (JP) 2012-06-13 EP disclosed
US-20120130089-A1 METHOD FOR PRODUCING CYCLIC SULFONIC ACID ESTER AND INTERMEDIATE THEREOF WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-05-24 US disclosed
EP-1274681-B1 PROCESS FOR PRODUCING AMIDE COMPOUND MITSUBISHI CHEM CORP (JP) 2011-08-17 EP disclosed
CN-101272993-A Siloxane polymerization in wallboard UNITED STATES GYPSUM CO (US) 2008-09-24 CN disclosed
EP-1274681-A1 PROCESS FOR PRODUCING AMIDE COMPOUND MITSUBISHI CHEMICAL CORPORATION (JP) 2003-01-15 EP disclosed
US-6489474-B1 A PROCESS FOR PRODUCING AN AMIDE COMPOUND BY SUBJECTING AN OXIME COMPOUND TO BECKMANN REARRANGEMENT IN A LIQUID PHASE, WHEREIN THE REACTION IS CARRIED OUT IN THE PRESENCE OF A NON-FLUORINE-CONTAINING SULFONIC ANHYDRIDE AND AN MITSUBISHI CHEMICAL CORPORATION (JP) 2002-12-03 US disclosed
WO-2001081302-A1 PROCESS FOR PRODUCING AMIDE COMPOUND MITSUBISHI CHEMICAL CORPORATION (JP) 2001-11-01 WO disclosed
WO-1998020904-A2 MICROPARTICLES FILLED WITH LIQUID ACTING ACCORDING TO A NEW PRINCIPLE AND THEIR USE AS DIAGNOSTIC AND THERAPEUTIC AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1998-05-22 WO disclosed
US-4689412-A ANHYDRIDES OF SULFONIC ACIDS OR SULFURIC ACID HALF ESTERS, CATALYSTS HULS AKTIENGESELLSCHAFT (DE) 1987-08-25 US disclosed
US-4600542-A Sulphonation products of naphthalene, processes for their preparation, and their use KRAMER AKTIENGESELLSCHAFT (DE) 1986-07-15 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 (4 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-20240309012-A1 ISOQUINOLINE COMPOUND, MANUFACTURING METHOD THEREFOR, AND APPLICATION THEREOF FURIN, REN, AQP1 CA1 2973/4885CA2 3311/4885CA9 3838/4885
US-20200255421-A1 TETRAHYDROPROTOBERBERINE COMPOUND, PREPARATION METHOD THEREFOR AND USES THEREOF, AND PHARMACEUTICAL COMPOSITION NOTUM, BHMT, CYP4F11 CA1 2093/4885CA2 4460/4885CA9 4067/4885
US-11731965-B2 Tetrahydroprotoberberine compound, preparation method therefor and uses thereof, and pharmaceutical composition NOTUM, BHMT, CYP4F11 CA1 2093/4885CA2 4460/4885CA9 4067/4885
US-20120130089-A1 METHOD FOR PRODUCING CYCLIC SULFONIC ACID ESTER AND INTERMEDIATE THEREOF STS, TST, SULT1A1 CA1 178/4885CA2 747/4885CA9 338/4885

“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.