SCHEMBL1131010

SCHEMBL1131010

CN(C)c1cccc2c(S(C)(=O)=O)cccc12

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.71
▸ CYP1A2 P05177 1/20 0.63
▸ CYP2C19 P33261 1/20 0.63
▸ HTT P42858 1/20 0.63
▸ HIF1A Q16665 1/20 0.63
▸ TDP1 Q9NUW8 1/20 0.63
▸ L3MBTL1 Q9Y468 1/20 0.63
▸ F2 P00734 3/20 0.59
▸ PRSS1 P07477 3/20 0.59
▸ PRSS2 P07478 3/20 0.59
▸ PRSS3 P35030 3/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ ATM Q13315 1/20 0.59
▸ EDNRA P25101 10/20 0.56
▸ KDM4E B2RXH2 1/20 0.52
▸ NSD2 O96028 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52

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
SCHEMBL9019311 0.85 CA2 (0.71) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL13165739 0.83 CDK2 (0.46) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL109002 0.83 CA2 (0.69) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL10730548 0.83 CA2 (0.69) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL563863 0.83 CA2 (0.69) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL10344363 0.83 CA2 (0.69) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL21283 0.83 CA2 (0.69) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL11948494 0.83 CA2 (0.69) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL3116246 0.83 CA2 (0.69) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL133520 0.83 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 116 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023191549-A1 FLUORESCENT PROBE FOR LABELING M1 MACROPHAGES, AND M1 MACROPHAGE MONITORING SYSTEM USING SAME 기초과학연구원 2023-10-05 — — WO disclosed
EP-3405477-B1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-06-07 — — EP disclosed
US-20230056205-A1 SUBSTITUTED 4,6-DIHYDROSPIRO[[1,2,3]TRIAZOLO[4,5-B]PYRIDINE-7,3'-INDOLINE]-2',5(3H)-DIONE ANALOGUES THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-02-23 — — US disclosed
WO-2023016517-A1 NAPHTHALENESULFONYL COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 复旦大学 2023-02-16 — — WO disclosed
US-20220213471-A1 SMALL MOLECULE SCREENING CELLULAR ASSAY USING MODIFIED BEADS F. HOFFMANN-LA ROCHE AG (CH) 2022-07-07 — — US disclosed
US-11072634-B2 Inhibitors of transglutaminases ZEDIRA GMBH (DE) 2021-07-27 — — US disclosed
US-20210169911-A1 PURINE AND PYRIMIDINE NUCLEOTIDES AS ECTO-5'-NUCLEOTIDASE INHIBITORS THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-06-10 — — US disclosed
US-RE48510-E1 Phosphorus functional antimicrobial coatings for metal surfaces NANO SAFE COATINGS INCORPORATED (US) 2021-04-13 — — US disclosed
US-20210047329-A1 SUBSTITUTED 4,6-DIHYDROSPIRO[[1,2,3]TRIAZOLO[4,5-B]PYRIDINE-7,3'-INDOLINE]-2',5(3H)-DIONE ANALOGUES THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-02-18 — — US disclosed
US-10808008-B2 Aromatic-cationic peptides and uses of same CORNELL UNIVERSITY (US) 2020-10-20 — — US disclosed
EP-1501796-B1 3-(PYRIDINYL-AMINO)-1H-INDOLE-2-CARBOXYLIC ACID DERIVATIVES AS INTERLEUKIN-4 GENE EXPRESSION INHIBITORS AVENTIS PHARMA INC (US) 2007-05-09 — — EP disclosed
US-7214698-B2 Beta-agonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-05-08 — — US disclosed
US-7202093-B2 Method for labeling phosphorylated peptides, method for selectively adsorbing phosphorylated peptides, complex compounds used in the methods, process for producing the complex compounds, and raw material compounds for the complex compounds KABUSHIKI KAISHA NARD KENKYUSHO (JP) 2007-04-10 — — US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 — — US disclosed
US-20070060754-A1 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2007-03-15 — — US disclosed
US-20070060754-A1 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2007-03-15 — — US disclosed
US-20070027144-A1 Novel use of cannabinoid receptor agonist SHIONOGI & CO., LTD. (JP) 2007-02-01 — — US disclosed
US-7169925-B2 Indole derivatives as interleukin-4 gene expression inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-01-30 — — US disclosed
US-7169925-B2 Indole derivatives as interleukin-4 gene expression inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-01-30 — — US disclosed
US-7157454-B2 Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2007-01-02 — — 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 (8 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-20210047329-A1 SUBSTITUTED 4,6-DIHYDROSPIRO[[1,2,3]TRIAZOLO[4,5-B]PYRIDINE-7,3'-INDOLINE]-2',5(3H)-DIONE ANALOGUES DHPS, QDPR, HTR5A CA2 4007/4885CYP1A2 243/4885CYP2C19 1161/4885
US-20230056205-A1 SUBSTITUTED 4,6-DIHYDROSPIRO[[1,2,3]TRIAZOLO[4,5-B]PYRIDINE-7,3'-INDOLINE]-2',5(3H)-DIONE ANALOGUES DHPS, QDPR, HTR5A CA2 3968/4885CYP1A2 248/4885CYP2C19 1165/4885
US-10808008-B2 Aromatic-cationic peptides and uses of same PDF, ARG2, NLN CA2 2077/4885CYP1A2 4761/4885CYP2C19 4585/4885
US-20070027144-A1 Novel use of cannabinoid receptor agonist CNR2, CNR1, OPRM1 CA2 1856/4885CYP1A2 464/4885CYP2C19 571/4885
US-20070060754-A1 Alkoxy substituted imidazoquinolines IL2, IFNG, IRF3 CA2 4015/4885CYP1A2 1780/4885CYP2C19 2831/4885
US-20210169911-A1 PURINE AND PYRIMIDINE NUCLEOTIDES AS ECTO-5'-NUCLEOTIDASE INHIBITORS NUDT1, NTPCR, NT5C2 CA2 2118/4885CYP1A2 3563/4885CYP2C19 2959/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 CA2 3978/4885CYP1A2 1069/4885CYP2C19 3141/4885
US-11072634-B2 Inhibitors of transglutaminases TGM2, TGM3, TGM1 CA2 878/4885CYP1A2 948/4885CYP2C19 361/4885

“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.

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