SCHEMBL13414730

SCHEMBL13414730

CC(=O)N1CCC2(CC1)CC(=O)CC(C)(C)N2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
GFER P55789 1/20 0.37
USP2 O75604 3/20 0.36
ALDH1A1 P00352 7/20 0.35
CYP2C19 P33261 3/20 0.35
MAPK1 P28482 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2C9 P11712 4/20 0.34
TSHR P16473 2/20 0.34
CYP2D6 P10635 3/20 0.33
CYP3A4 P08684 3/20 0.33
CYP1A2 P05177 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSD17B10 Q99714 4/20 0.33
HPGD P15428 3/20 0.33
ALOX12 P18054 1/20 0.33
EPHX2 P34913 1/20 0.33
GLA P06280 1/20 0.32
HIF1A Q16665 2/20 0.32

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
SCHEMBL13414734 0.90 GAA (0.40) GAAGFERUSP2ALDH1A1CYP2C19
SCHEMBL31267848 0.78 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2
SCHEMBL6359769 0.75 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2
SCHEMBL31267852 0.75 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2
SCHEMBL25346624 0.73 USP2 (0.50) USP2ALDH1A1CYP2C19MAPK1MEN1
SCHEMBL6353020 0.73 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2
SCHEMBL13199373 0.73 CYP1A2 (0.44) GAAGFERUSP2ALDH1A1CYP2C19
Acetic Acid SCHEMBL988122 0.70 SMN1; SMN2 (0.46) GAAALDH1A1CYP2C19MAPK1MEN1
SCHEMBL13414736 0.69 USP2 (0.39) GAAGFERUSP2ALDH1A1CYP2C19
SCHEMBL30174827 0.68 CYP11B1 (0.43) GAAGFERUSP2ALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513417-B2 Method for synthesis of nitroxyl radical KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2013-08-20 US disclosed
US-8513417-B2 Method for synthesis of nitroxyl radical KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2013-08-20 US disclosed
US-20100076190-A1 METHOD FOR SYNTHESIS OF NITROXYL RADICAL KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2010-03-25 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 (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-20100076190-A1 METHOD FOR SYNTHESIS OF NITROXYL RADICAL NOX4, TXN2, TXNRD2 GAA 3773/4885GFER 802/4885USP2 1595/4885

“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.