SCHEMBL2741828

SCHEMBL2741828

CON(C)C(=O)C1C[C@@H]2CC[C@H]1C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.41
HSD11B1 P28845 1/20 0.40
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
HPGD P15428 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
GFER P55789 1/20 0.38
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
KCNQ4 P56696 1/20 0.38
KCNQ5 Q9NR82 1/20 0.38
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 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
SCHEMBL2761508 1.00 POLB (0.43) POLBTSHRHSD11B1NPC1RAB9A
SCHEMBL25913566 0.81 POLB (0.48) POLBTSHRHSD11B1NPC1RAB9A
SCHEMBL14697193 0.74 EPHX1 (0.48)
SCHEMBL20863628 0.74 ITK (0.35)
SCHEMBL34462074 0.73 POLB (0.53) POLBTSHRHSD11B1NPC1RAB9A
SCHEMBL17518655 0.73 POLB (0.53) POLBTSHRHSD11B1NPC1RAB9A
SCHEMBL18628997 0.73 POLB (0.53) POLBTSHRHSD11B1NPC1RAB9A
SCHEMBL1105066 0.73 POLB (0.53) POLBTSHRHSD11B1NPC1RAB9A
SCHEMBL21420047 0.72 EPHX2 (0.34)
SCHEMBL6982537 0.72 EPHX2 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9890192-B2 Targeted nitroxide agents University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2018-02-13 US disclosed
US-9732105-B2 Targeted nitroxide agents University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-08-15 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-20160068556-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2016-03-10 US disclosed
US-9220711-B2 Compounds for the treatment of pathologies associated with aging and degenerative disorders University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2015-12-29 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-8937086-B2 Compounds for the treatment of pathologies associated with aging and degenerative disorders University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2015-01-20 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-20140018317-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-01-16 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
US-20120004263-A1 Compounds for the treatment of pathologies associated with aging and degenerative disorders UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-01-05 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
US-20100035869-A1 TARGETED NITROXIDE AGENTS PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION, UNIVERSITY OF 2010-02-11 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-20110172214-A1 USE OF TARGETED NITROXIDE AGENTS IN PREVENTING, MITIGATING AND TREATING RADIATION INJURY TXNRD2, TXN2, HSPE1 POLB 434/4885TSHR 4274/4885HSD11B1 2560/4885
US-20160137692-A1 TARGETED NITROXIDE AGENTS TXNRD2, TXN2, HSPE1 POLB 394/4885TSHR 3984/4885HSD11B1 2734/4885
US-20120004263-A1 Compounds for the treatment of pathologies associated with aging and degenerative disorders GLA, AGER, SIRT1 POLB 431/4885TSHR 3189/4885HSD11B1 1311/4885
US-20100035869-A1 TARGETED NITROXIDE AGENTS TXNRD2, TXN2, HSPE1 POLB 394/4885TSHR 3984/4885HSD11B1 2734/4885
US-20140018317-A1 TARGETED NITROXIDE AGENTS NOXO1, NOX1, TPX2 POLB 1683/4885TSHR 2544/4885HSD11B1 3052/4885
US-20140378444-A1 TARGETED NITROXIDE AGENTS TXNRD2, TXN2, HSPE1 POLB 394/4885TSHR 3984/4885HSD11B1 2734/4885
US-20160068556-A1 TARGETED NITROXIDE AGENTS NOXO1, NOX1, TPX2 POLB 1683/4885TSHR 2544/4885HSD11B1 3052/4885
US-20130102626-A1 TARGETED NITROXIDE AGENTS TXNRD2, TXN2, HSPE1 POLB 394/4885TSHR 3984/4885HSD11B1 2734/4885

“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.