SCHEMBL12420583

SCHEMBL12420583

C=C1C[C@H]2CC(=C)C[C@@H](C1)C2NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 4/20 0.45
NFKB2 Q00653 4/20 0.45
RELA Q04206 4/20 0.45
GAA P10253 2/20 0.43
BTK Q06187 1/20 0.41
EPHX2 P34913 1/20 0.38
CTSK P43235 2/20 0.38
KDM1A O60341 2/20 0.38
MAOB P27338 1/20 0.36
EPHX1 P07099 1/20 0.36

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
SCHEMBL12420577 0.94 NFKB1 (0.44) NFKB1NFKB2RELAGAABTK
SCHEMBL1922763 0.94 NFKB1 (0.44) NFKB1NFKB2RELAGAABTK
SCHEMBL13374071 0.89 NFKB1 (0.38) NFKB1NFKB2RELAGAABTK
SCHEMBL571098 0.81 BTK (0.50) NFKB1NFKB2RELAGAABTK
SCHEMBL14657161 0.81 BTK (0.49) NFKB1NFKB2RELAGAABTK
SCHEMBL23620470 0.77 NFKB1 (0.47) NFKB1NFKB2RELAGAABTK
SCHEMBL14886648 0.77 NFKB1 (0.44) NFKB1NFKB2RELAGAABTK
SCHEMBL136442 0.76 EPHX2 (0.56) BTKEPHX2EPHX1
SCHEMBL30073679 0.76 NFKB1 (0.53) NFKB1NFKB2RELAGAABTK
SCHEMBL6335706 0.76 NFKB1 (0.53) NFKB1NFKB2RELAGAABTK

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230144767-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2023-05-11 US disclosed
US-9890192-B2 Targeted nitroxide agents University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2018-02-13 US disclosed
US-20160137692-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2016-05-19 US disclosed
US-9216976-B2 Targeted nitroxide agents University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2015-12-22 US disclosed
US-20140378444-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-12-25 US disclosed
US-8822541-B2 Use of targeted nitroxide agents in mitigating or treating radiation injury University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2014-09-02 US disclosed
US-20130102626-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2013-04-25 US disclosed
US-20110172214-A1 USE OF TARGETED NITROXIDE AGENTS IN PREVENTING, MITIGATING AND TREATING RADIATION INJURY UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2011-07-14 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 (5 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-20110172214-A1 USE OF TARGETED NITROXIDE AGENTS IN PREVENTING, MITIGATING AND TREATING RADIATION INJURY TXNRD2, TXN2, HSPE1 NFKB1 1253/4885NFKB2 872/4885RELA 440/4885
US-20160137692-A1 TARGETED NITROXIDE AGENTS TXNRD2, TXN2, HSPE1 NFKB1 1491/4885NFKB2 1003/4885RELA 567/4885
US-20230144767-A1 TARGETED NITROXIDE AGENTS TXNRD2, TXN2, HSPE1 NFKB1 1491/4885NFKB2 1003/4885RELA 567/4885
US-20140378444-A1 TARGETED NITROXIDE AGENTS TXNRD2, TXN2, HSPE1 NFKB1 1491/4885NFKB2 1003/4885RELA 567/4885
US-20130102626-A1 TARGETED NITROXIDE AGENTS TXNRD2, TXN2, HSPE1 NFKB1 1491/4885NFKB2 1003/4885RELA 567/4885

“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.