SCHEMBL1922635

SCHEMBL1922635

CC(C)CC(C=CCCO)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.47
CTSL P07711 2/20 0.46
CTSS P25774 2/20 0.46
CTSB P07858 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CAPN1 P07384 1/20 0.43
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
REN P00797 1/20 0.39
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL1922633 1.00 CTSK (0.47) CTSKCTSLCTSSCTSBCA1
SCHEMBL1922634 1.00 CTSK (0.47) CTSKCTSLCTSSCTSBCA1
SCHEMBL1922636 1.00 CTSK (0.47) CTSKCTSLCTSSCTSBCA1
SCHEMBL10420922 0.89 CTSK (0.47) CTSKCTSLCTSSCTSBCA1
SCHEMBL8034346 0.88 CTSK (0.49) CTSKCTSLCTSSCTSBCA1
SCHEMBL10545929 0.88 CTSK (0.49) CTSKCTSLCTSSCTSBCA1
SCHEMBL16480228 0.85 CTSK (0.49) CTSKCTSLCTSSCTSBCA1
SCHEMBL7435374 0.85 CTSK (0.52) CTSKCTSLCTSSCTSBCA1
SCHEMBL7435372 0.85 CTSK (0.52) CTSKCTSLCTSSCTSBCA1
SCHEMBL9556266 0.85 CTSK (0.52) CTSKCTSLCTSSCTSBCA1

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 21 patents — showing the first 20. 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-20210371460-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-12-02 US disclosed
US-20200317730-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-10-08 US disclosed
US-20190210969-A1 INTRAESOPHAGEAL ADMINISTRATION OF TARGETED NITROXIDE AGENTS FOR PROTECTION AGAINST IONIZING IRRADIATION-INDUCED ESOPHAGITIS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2019-07-11 US disclosed
US-20180298054-A1 TARGETED NITROXIDE AGENTS University of Pittsburgh - of the Commonwealth Sys tem of Higher Education (US) 2018-10-18 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
EP-2328875-B1 TARGETED NITROXIDE AGENTS UNIV PITTSBURGH (US) 2014-10-15 EP disclosed
US-8609850-B2 Targeted nitroxide agents University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2013-12-17 US disclosed
US-20130102626-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2013-04-25 US disclosed
US-8288551-B2 Targeted nitroxide agents UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-10-16 US disclosed
WO-2012068081-A1 INTRAESOPHAGEAL ADMINISTRATION OF TARGETED NITROXIDE AGENTS FOR PROTECTION AGAINST IONIZING IRRADIATION-INDUCED ESOPHAGATIS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-05-24 WO 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
EP-2328875-A2 TARGETED NITROXIDE AGENTS University of Pittsburgh - Of the Commonwealth System of Higher Education (US) 2011-06-08 EP disclosed
WO-2010009405-A9 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2010-03-25 WO disclosed
US-20100035869-A1 TARGETED NITROXIDE AGENTS PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION, UNIVERSITY OF 2010-02-11 US disclosed
WO-2010009389-A1 USE OF TARGETED NITROXIDE AGENTS IN PREVENTING, MITIGATING AND TREATING RADIATION INJURY UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2010-01-21 WO disclosed
WO-2010009405-A2 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2010-01-21 WO 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 (10 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 CTSK 2223/4885CTSL 3648/4885CTSS 2157/4885
US-20190210969-A1 INTRAESOPHAGEAL ADMINISTRATION OF TARGETED NITROXIDE AGENTS FOR PROTECTION AGAINST IONIZING IRRADIATION-INDUCED ESOPHAGITIS HSPE1, HSPA9, HSPD1 CTSK 3108/4885CTSL 3865/4885CTSS 3013/4885
US-20160137692-A1 TARGETED NITROXIDE AGENTS TXNRD2, TXN2, HSPE1 CTSK 3049/4885CTSL 4201/4885CTSS 3039/4885
US-20180298054-A1 TARGETED NITROXIDE AGENTS TXNRD2, TXN2, HSPE1 CTSK 3049/4885CTSL 4201/4885CTSS 3039/4885
US-20200317730-A1 TARGETED NITROXIDE AGENTS TXNRD2, TXN2, HSPE1 CTSK 3049/4885CTSL 4201/4885CTSS 3039/4885
US-20100035869-A1 TARGETED NITROXIDE AGENTS TXNRD2, TXN2, HSPE1 CTSK 3049/4885CTSL 4201/4885CTSS 3039/4885
US-20230144767-A1 TARGETED NITROXIDE AGENTS TXNRD2, TXN2, HSPE1 CTSK 3049/4885CTSL 4201/4885CTSS 3039/4885
US-20140378444-A1 TARGETED NITROXIDE AGENTS TXNRD2, TXN2, HSPE1 CTSK 3049/4885CTSL 4201/4885CTSS 3039/4885
US-20210371460-A1 TARGETED NITROXIDE AGENTS TXNRD2, TXN2, HSPE1 CTSK 3049/4885CTSL 4201/4885CTSS 3039/4885
US-20130102626-A1 TARGETED NITROXIDE AGENTS TXNRD2, TXN2, HSPE1 CTSK 3049/4885CTSL 4201/4885CTSS 3039/4885

“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.