SCHEMBL41110

SCHEMBL41110

O=[N+]([O-])c1ccc(SO)c([N+](=O)[O-])c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TXNRD1 Q16881 1/20 0.72
▸ TXNRD3 Q86VQ6 1/20 0.72
▸ TXNRD2 Q9NNW7 1/20 0.72
▸ MAPT P10636 6/20 0.61
▸ GAA P10253 1/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.61
▸ ALDH1A1 P00352 4/20 0.58
▸ GPR35 Q9HC97 2/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ TP53 P04637 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.55
▸ MGLL Q99685 6/20 0.54
▸ FAAH O00519 5/20 0.54
▸ HIF1A Q16665 1/20 0.53
▸ HTT P42858 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 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
SCHEMBL41109 1.00 TXNRD1 (0.72) TXNRD1TXNRD3TXNRD2MAPTGAA
SCHEMBL6161726 0.84 TXNRD1 (0.78) TXNRD1TXNRD3TXNRD2MAPTGAA
SCHEMBL1032814 0.84 TXNRD1 (1.00) TXNRD1TXNRD3TXNRD2MAPTGAA
SCHEMBL30128616 0.84 TXNRD1 (0.78) TXNRD1TXNRD3TXNRD2MAPTGAA
SCHEMBL3990991 0.82 TXNRD1 (0.75) TXNRD1TXNRD3TXNRD2MAPTGAA
SCHEMBL13783415 0.81 TXNRD1 (0.62) TXNRD1TXNRD3TXNRD2MAPTGAA
SCHEMBL8973665 0.81 TXNRD1 (0.72) TXNRD1TXNRD3TXNRD2MAPTGAA
SCHEMBL434275 0.81 TXNRD1 (0.72) TXNRD1TXNRD3TXNRD2MAPTGAA
SCHEMBL11686247 0.81 TXNRD1 (0.72) TXNRD1TXNRD3TXNRD2MAPTGAA
SCHEMBL8442596 0.81 TXNRD1 (0.72) TXNRD1TXNRD3TXNRD2MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3606528-B1 TRICYCLIC COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 (GSK3) INHIBITORS AND USES THEREOF BROAD INST INC (US) 2023-10-18 — — EP claimed
EP-3649135-B1 SYNTHESIS OF HALICHONDRINS HARVARD COLLEGE (US) 2022-12-28 — — EP claimed
EP-3172213-B1 MACROCYCLIC KINASE INHIBITORS AND USES THEREOF DANA FARBER CANCER INST INC (US) 2021-09-22 — — EP claimed
EP-3092220-B1 VITAMIN C PRODRUGS AND USES THEREOF UNIV FLORIDA (US) 2021-01-20 — — EP claimed
EP-3171874-B1 IMIDAZOLYL KINASE INHIBITORS AND USES THEREOF DANA FARBER CANCER INST INC (US) 2020-11-18 — — EP claimed
EP-2016044-B1 PENTACYCLINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS HARVARD COLLEGE (US) 2020-06-10 — — EP claimed
EP-3063164-B1 SYNTHETIC ROUTE TO 2'-DEOXY-2',2'-DIFLUOROTETRAHYDROURIDINES OTSUKA PHARMA CO LTD (JP) 2018-12-05 — — EP claimed
EP-2727915-B1 Synthesis of deuterated catechols and benzo[d][1,3]dioxoles and derivatives thereof CONCERT PHARMACEUTICALS INC (US) 2016-04-13 — — EP claimed
US-20100048957-A1 METHOD TO PREPARE PURE CURCUMIN KIM DARRICK S H L 2010-02-25 — — US claimed
EP-2037762-A4 METHOD TO PREPARE PURE CURCUMIN KIM DARRICK S H L (US) 2009-07-08 — — EP claimed
EP-2037762-A1 METHOD TO PREPARE PURE CURCUMIN Kim, Darrick S.H.L. (US) 2009-03-25 — — EP claimed
WO-2007143635-A1 METHOD TO PREPARE PURE CURCUMIN KIM DARRICK S (US) 2007-12-13 — — WO claimed
US-5478928-A Useful as antiviral agents in the treatment and prevention of AIDS SOUTHERN RESEARCH INSTITUTE (US) 1995-12-26 — — US claimed
WO-1995011685-A1 2',3'-DIDEOXY-4'-THIORIBONUCLEOSIDES AS ANTIVIRAL AGENTS SOUTHERN RESEARCH INSTITUTE (US) 1995-05-04 — — WO claimed
US-12551570-B2 Compounds comprising cleavable linker and uses thereof INTOCELL, INC. (KR) 2026-02-17 — — US disclosed
US-12479927-B2 Compounds comprising cleavable linker and uses thereof INTOCELL, INC. (KR) 2025-11-25 — — US disclosed
US-20250213712-A1 ANTIBODY DRUG CONJUGATES COMPRISING CAMPTOTHECIN DERIVATIVES AND USES THEREOF INTOCELL, INC. (KR) 2025-07-03 — — US disclosed
US-4876338-A Synthesis of azetidinones using CuCl SCHERING CORPORATION (US) 1989-10-24 — — US disclosed
US-4767853-A Synthesis of 1-(allyloxycarbonyl)-methyl-3-(hydroxyethyl)-4-beta-naphthoxythiocarbonylthio-2-azetidinones and hydroxy protected analogs thereof SCHERING CORPORATION (US) 1988-08-30 — — US disclosed
EP-0257610-A2 Process and intermediates for the synthesis of the enantiomers of bicyclo(4.2.0)oct-2-en-7-one and derivatives and for the synthesis of bicyclo(4.2.0)octane derivatives SYNTEX (U.S.A.) INC. (US) 1988-03-02 — — 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 (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-20250213712-A1 ANTIBODY DRUG CONJUGATES COMPRISING CAMPTOTHECIN DERIVATIVES AND USES THEREOF CD47, TOP2A, SSB TXNRD1 579/4885TXNRD3 657/4885TXNRD2 1035/4885
US-12551570-B2 Compounds comprising cleavable linker and uses thereof FCGR2A, FCGR3B, FCGR1A TXNRD1 2745/4885TXNRD3 3787/4885TXNRD2 3943/4885
US-12479927-B2 Compounds comprising cleavable linker and uses thereof VIP, ANTXR2, TNFRSF9 TXNRD1 1177/4885TXNRD3 1643/4885TXNRD2 1490/4885

“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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