SCHEMBL25599

SCHEMBL25599

CS(=O)(=O)O.CS(=O)(=O)O

nearest known ligand 0.58

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.58
KDM4E B2RXH2 3/20 0.56
CA5A P35218 2/20 0.56
CA5B Q9Y2D0 2/20 0.56
CYP3A4 P08684 2/20 0.56
TSHR P16473 4/20 0.46
CA1 P00915 4/20 0.46
CA9 Q16790 2/20 0.46
NT5E P21589 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA7 P43166 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
USP2 O75604 1/20 0.39
CA12 O43570 1/20 0.36
BLM P54132 2/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL8596055 1.00 CA2 (0.58) CA2KDM4ECA5ACA5BCYP3A4
SCHEMBL246838 1.00 CA2 (0.58) CA2KDM4ECA5ACA5BCYP3A4
SCHEMBL128169 1.00
SCHEMBL105 1.00
SCHEMBL15109974 1.00
SCHEMBL429367 0.94
SCHEMBL20570028 0.94
SCHEMBL8729088 0.94
SCHEMBL20570964 0.94
SCHEMBL21641627 0.94 CA2 (0.54) CA2KDM4ECA5ACA5BCYP3A4

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 1739 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4720073-A1 SOLID FORMS OF A MACROCYCLIC FARNESYLTRANSFERASE INHIBITOR AND FORMULATIONS THEREOF, AND METHODS OF PREPARING AND USING THE MACROCYCLIC COMPOUND AND ITS SOLID FORMS Kura Oncology, Inc. (US) 2026-04-08 EP claimed
WO-2025111563-A1 MILK PEPTIDE COMPOSITIONS FOR PHARMACEUTICAL AND COSMECEUTICAL USE MATRUBIALS INC. (US) 2025-05-30 WO claimed
EP-4504736-A1 SOLID FORMS, PHARMACEUTICAL COMPOSITIONS AND PREPARATION OF HETEROAROMATIC MACROCYCLIC ETHER COMPOUNDS Nuvalent, Inc. (US) 2025-02-12 EP claimed
WO-2024245364-A1 SOLID FORMS OF A MACROCYCLIC FARNESYLTRANSFERASE INHIBITOR AND FORMULATIONS THEREOF, AND METHODS OF PREPARING AND USING THE MACROCYCLIC COMPOUND AND ITS SOLID FORMS KURA ONCOLOGY, INC. (US) 2024-12-05 WO claimed
EP-3183346-B1 CHANNEL MODULATORS AUCKLAND UNISERVICES LTD (NZ) 2024-10-23 EP claimed
EP-4444720-A1 RABEXIMOD COMPOUNDS Cyxone AB (SE) 2024-10-16 EP claimed
WO-2023196900-A9 SOLID FORMS, PHARMACEUTICAL COMPOSITIONS AND PREPARATION OF HETEROAROMATIC MACROCYCLIC ETHER COMPOUNDS NUVALENT, INC. (US) 2024-07-04 WO claimed
US-20230321009-A1 USE OF MITOXANTRONE PREPARATION IN PREPARATION OF DRUG FOR DIAGNOSING AND TREATING BREAST CANCER SHENZHEN CHINA RESOURCES JIUCHUANG MEDICAL AND PHARMACEUTICAL CO., LTD (CN) 2023-10-12 US claimed
WO-2023196900-A1 SOLID FORMS, PHARMACEUTICAL COMPOSITIONS AND PREPARATION OF HETEROAROMATIC MACROCYCLIC ETHER COMPOUNDS NUVALENT, INC. (US) 2023-10-12 WO claimed
EP-3801480-B1 SAFINAMIDE FOR TREATING MYOTONIA ZAMBON SPA (IT) 2023-07-05 EP claimed
CN-107915657-A A kind of preparation method for the medicine methanesulfonic acid safinamide for treating Parkinson's 孙婷婷 2018-04-17 CN claimed
US-20120046471-A1 PROCESS FOR PREPARING ORGANIC COMPOUNDS BY A TRANSITION METAL-CATALYSED CROSS-COUPLING REACTION OF AN ARYL-X, HETEROARYL-X, CYCLOALKENYL-X OR ALKENYL-X COMPOUND WITH AN ALKYL, ALKENYL, CYCLOALKYL OR CYCLOALKENYL HALIDE SALTIGO GMBH (DE) 2012-02-23 US claimed
US-8030520-B2 Process for preparing organic compounds by a transition metal-catalysed cross-coupling reaction of an aryl-X, heteroaryl-X, cycloalkenyl-X or alkenyl-X compound with an alkyl, alkenyl, cycloalkyl or cycloalkenyl halide SALTIGO GMBH (DE) 2011-10-04 US claimed
EP-2107047-B1 Method for producing organic compounds by means of a transition metal-catalysed cross-coupling reaction of an aryl-X, heteroaryl-X, cycloalkenyl-X or alkenyl-X compound with an alkyl, alkenyl, cycloalkyl or cycloalkenyl halogenide SALTIGO GMBH (DE) 2011-09-28 EP claimed
US-20110220844-A1 SULFONATE MODIFIED NANOCRYSTALS Life Technologies Corporation 2011-09-15 US claimed
US-8003617-B2 e.g. 1-(3',4'-ethylenedioxy)phenyl-2-nonanoylamino-3-pyrrolidino-1-propanol; glucosylceramide synthase inhibitor; inhibits glycosphingolipid synthesis; antidiabetic, hypoglycemic agent; non-insulin dependent diabetes, obesity, Gaucher's disease GENZYME CORPORATION (US) 2011-08-23 US claimed
EP-2342161-A2 SULFONATE MODIFIED NANOCRYSTALS Life Technologies Corporation (US) 2011-07-13 EP claimed
US-7935852-B2 Fluoridation method GE HEALTHCARE LIMITED (GB) 2011-05-03 US claimed
US-20110053987-A1 PYRIDINIUM AND THIAZOLIUM CONJUGATES INCLUDING POLYETHYLENE GLYCOLS AND METHODS OF USING THE SAME MYCOSOL, INC. 2011-03-03 US claimed
US-20110034530-A1 PROCESS FOR THE PREPARATION OF FIPRONIL AND ANALOGUES THEREOF VETOQUINOL (FR) 2011-02-10 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20110034530-A1 PROCESS FOR THE PREPARATION OF FIPRONIL AND ANALOGUES THEREOF NOX5, CYP3A5, PPOX CA2 446/4885KDM4E 863/4885CA5A 7/4885
US-20110053987-A1 PYRIDINIUM AND THIAZOLIUM CONJUGATES INCLUDING POLYETHYLENE GLYCOLS AND METHODS OF USING THE SAME PLPBP, PTPMT1, PNPO CA2 4174/4885KDM4E 2342/4885CA5A 1325/4885
US-20120046471-A1 PROCESS FOR PREPARING ORGANIC COMPOUNDS BY A TRANSITION METAL-CATALYSED CROSS-COUPLING REACTION OF AN ARYL-X, HETEROARYL-X, CYCLOALKENYL-X OR ALKENYL-X COMPOUND WITH AN ALKYL, ALKENYL, CYCLOALKYL OR CYCLOALKENYL HALIDE TIMCC, ZFX, TSNAX CA2 2308/4885KDM4E 208/4885CA5A 2331/4885

“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.