SCHEMBL6130356

SCHEMBL6130356

CC12CC3(C)CC(NCc4ccccc4)(C1)CC(NC(=O)OC(C)(C)C)(C2)C3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA7 P43166 1/20 0.46
CA14 Q9ULX7 1/20 0.46
DPP9 Q86TI2 3/20 0.44
DPP8 Q6V1X1 2/20 0.44
ATM Q13315 1/20 0.43
EPHX2 P34913 1/20 0.42
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AKT1 P31749 2/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CTSK P43235 2/20 0.39
PPARA Q07869 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 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
SCHEMBL6130358 0.86 SYK (0.48) CA12CA1CA7CA14DPP9
SCHEMBL6887697 0.79 AKT1 (0.43) CA12CA1CA7CA14DPP9
SCHEMBL27231928 0.79 SYK (0.53) CA12CA1CA7CA14DPP9
SCHEMBL14657570 0.77 MEN1 (0.42) DPP9DPP8KMT2ALMNAGAA
SCHEMBL26633304 0.74 DPP8 (0.47) CA12CA1CA7CA14DPP9
SCHEMBL29408962 0.74 CA12 (0.46) CA12CA1CA7CA14DPP9
SCHEMBL30561275 0.73 GAA (0.40) DPP9DPP8KMT2AALDH1A1LMNA
SCHEMBL23460475 0.73 SYK (0.47) CA12CA1CA7CA14DPP9
Hydrochloric Acid SCHEMBL29495505 0.73 CA12 (0.46) CA12CA1CA7CA14DPP9
SCHEMBL21238259 0.72 DPP8 (0.43) CA12CA1CA7CA14DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1389181-A4 ANTIOXIDANT NITROXIDES AND NITRONES AS THERAPEUTIC AGENTS PANORAMA RES INC (US) 2005-10-19 EP disclosed
US-6852889-B2 Antioxidant nitroxides and nitrones as therapeutic agents PANORAMA RESEARCH, INC. (US) 2005-02-08 US disclosed
US-6717012-B2 SUCH AS ALPHA-PHENYL-N-(7-TERT-BUTOXYCARBONYLAMINO-3,5-DIMETHYLADAMANTANE)NITRONE FOR TREATMENT OF NEUROLOGICAL/ INFLAMMATORY DIORDERS, AND AGING, WHICH RESULT FROM THE OVERPRODUCTION OF NITRIC OXIDE NEUROMOLECULAR, INC. 2004-04-06 US disclosed
EP-1389181-A2 ANTIOXIDANT NITROXIDES AND NITRONES AS THERAPEUTIC AGENTS PANORAMA RESEARCH, INC. (US) 2004-02-18 EP disclosed
US-20030045574-A1 Antioxidant nitroxides and nitrones as therapeutic agents PANORAMA RESEARCH, INC. 2003-03-06 US disclosed
WO-2002078615-A2 ANTIOXIDANT NITROXIDES AND NITRONES AS THERAPEUTIC AGENTS PANORAMA RESEARCH, INC. (US) 2002-10-10 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 (1 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-20030045574-A1 Antioxidant nitroxides and nitrones as therapeutic agents NOS3, NOX3, NOX1 CA12 2428/4885CA1 871/4885CA7 1292/4885

“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.