SCHEMBL563863

SCHEMBL563863

CN(C)c1cccc2c(S([NH])(=O)=O)cccc12

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.69
CYP1A2 P05177 1/20 0.61
CYP2C19 P33261 1/20 0.61
HTT P42858 1/20 0.61
HIF1A Q16665 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
F2 P00734 3/20 0.58
PRSS1 P07477 3/20 0.58
PRSS2 P07478 3/20 0.58
PRSS3 P35030 3/20 0.58
KMT2A Q03164 1/20 0.58
ATM Q13315 1/20 0.58
EDNRA P25101 10/20 0.55
KDM4E B2RXH2 1/20 0.51
NSD2 O96028 1/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
Water SCHEMBL29242598 0.84 CA2 (0.67) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL1131010 0.83 CA2 (0.71) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL9019311 0.83 CA2 (0.71) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL10344363 0.81 CA2 (0.69) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL11948494 0.81 CA2 (0.69) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL3116246 0.81 CA2 (0.69) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL133520 0.81 CA2 (0.69) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL108421 0.81 CA2 (1.00) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL109002 0.81 CA2 (0.69) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL21283 0.81 CA2 (0.69) CA2CYP1A2CYP2C19HTTHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1308608-A Substituted beta-amino acid inhibitors of methionine aminopeptidase-2 ABBOTT LAB (US) 2001-08-15 CN claimed
EP-0650595-A4 UNIVERSAL STANDARD REAGENTS, METHOD OF PREPARING SAME AND USE THEREOF. PATCHORNIK ZIPORA (IL) 1996-08-21 EP claimed
EP-0451824-B1 Chelating compounds and their use NIHON MEDIPHYSICS CO LTD (JP) 1996-02-14 EP claimed
US-5472628-A Aryl boronic acid THE PROCTER & GAMBLE COMPANY (US) 1995-12-05 US claimed
EP-0650595-A1 UNIVERSAL STANDARD REAGENTS, METHOD OF PREPARING SAME AND USE THEREOF PATCHORNIK, Zipora (IL) 1995-05-03 EP claimed
US-5298197-A Chemiluminescent microemulsions THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1994-03-29 US claimed
WO-1994001771-A1 UNIVERSAL STANDARD REAGENTS, METHOD OF PREPARING SAME AND USE THEREOF PATCHORNIK, ZIPORA (IL) 1994-01-20 WO claimed
US-4540548-A Method of detecting fluorescent materials and apparatus for their detection YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1985-09-10 US claimed
US-20230181518-A1 PREVENTION OF ROSACEA INFLAMMATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-06-15 US disclosed
US-11607458-B2 Enrichment-triggered chemical delivery system GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2023-03-21 US disclosed
US-20220412917-A1 Dual Mode Scanning Optical System for Capillary Electrophoresis DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2022-12-29 US disclosed
US-11382890-B2 Prevention of rosacea inflammation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-07-12 US disclosed
CN-113797905-B Pyridine dicarboxamide bridged bis-beta-cyclodextrin stationary phase and preparation method and application thereof 南昌大学 2022-07-12 CN disclosed
CN-114729915-A Dual-mode scanning optical system for capillary electrophoresis DH科技发展私人贸易有限公司 2022-07-08 CN disclosed
US-4540548-A Method of detecting fluorescent materials and apparatus for their detection YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1985-09-10 US disclosed
EP-0116472-A2 Antigenic materials COUNCIL OF GOVERNORS OF THE UNITED MEDICAL AND DENTAL SCHOOLS OF GUY'S AND ST. THOMAS'S HOSPITALS (GB) 1984-08-22 EP disclosed
US-4447356-A CYCLIC POLYPEPTIDES; MOLLUSC VENOMS; ANTICHOLINERGIC AGENTS; NERVOUS SYSTEM DISORDERS OLIVERA BALDOMERO M 1984-05-08 US disclosed
US-4419452-A Method of detecting fluorescent materials and apparatus for their detection YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1983-12-06 US disclosed
US-4378500-A LIQUID CHROMATOGRAPHY WITH POLAR SOLVENT VARIAN ASSOCIATES, INC. (US) 1983-03-29 US disclosed
US-4305872-A HYPOTHALAMIC RELEASING AND INHIBITORY FACTORS, ENKEPHALINS AND ANTAGONISTS TO PRECURSOR PEPTIDES USEFUL IN BIOASSAY Wingrove, Kenneth (US) 1981-12-15 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 (1 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-11607458-B2 Enrichment-triggered chemical delivery system HMGB1, PAICS, CCL2 CA2 2880/4885CYP1A2 1176/4885CYP2C19 943/4885

“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.