SCHEMBL6130358

SCHEMBL6130358

CC12CC3(C)CC(NC(=O)OCc4ccccc4)(C1)CC(NC(=O)OC(C)(C)C)(C2)C3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.42
CTSL P07711 2/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
CYP3A4 P08684 6/20 0.41
TSHR P16473 6/20 0.41
ALDH1A1 P00352 4/20 0.41
CASP1 P29466 1/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 3/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
PPARA Q07869 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL27231928 0.94 SYK (0.53) SYKSMN1; SMN2CTSLCTSBCTSS
SCHEMBL1073539 0.86 CYP3A4 (0.46) SMN1; SMN2CTSLCTSBCTSSCYP3A4
SCHEMBL31454371 0.86 SYK (0.53) SYKSMN1; SMN2CTSLCTSBCTSS
SCHEMBL10152374 0.86 SYK (0.48) SYKSMN1; SMN2CTSLCTSBCTSS
SCHEMBL6130356 0.86 CA12 (0.46) SMN1; SMN2CTSSDPP8DPP9ALDH1A1
SCHEMBL23460475 0.83 SYK (0.47) SYKSMN1; SMN2CTSLCTSSDPP8
SCHEMBL1074213 0.82 CYP3A4 (0.43) SMN1; SMN2CTSLCTSBCTSSCYP3A4
SCHEMBL2394536 0.79 SYK (0.51) SYKSMN1; SMN2CTSLCTSBCTSS
SCHEMBL6887697 0.79 AKT1 (0.43) CTSLCTSBCTSSDPP8DPP9
SCHEMBL31360840 0.77 SYK (0.43) SYKSMN1; SMN2CTSLCTSBCTSS

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 7 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-20040186320-A1 Alpha-phenyl-N-(7-tert-butoxycarbonylamino-3,5-dialkyl -adamantane)nitrones; treating disorders resulting from overproduction of nitric oxide and other free radicals such as neurological, neuropsychiatric and inflammatory disorders WANG YUQIANG (US) 2004-09-23 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 (2 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-20040186320-A1 Alpha-phenyl-N-(7-tert-butoxycarbonylamino-3,5-dialkyl -adamantane)nitrones; treating disorders resulting from overproduction of nitric oxide and other free radicals such as neurological, neuropsychiatric and inflammatory disorders NOS1, NOS3, NOS2 SYK 2161/4885SMN1; SMN2 1295/4885CTSL 883/4885
US-20030045574-A1 Antioxidant nitroxides and nitrones as therapeutic agents NOS3, NOX3, NOX1 SYK 2059/4885SMN1; SMN2 474/4885CTSL 1674/4885

“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.