SCHEMBL4662355

SCHEMBL4662355

C[C@@H](COc1cccc2c1C(=O)NC2=O)NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
AAK1 Q2M2I8 5/20 0.39
CASP3 P42574 1/20 0.36
IDO1 P14902 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
SCHEMBL4663980 1.00 EPHX2 (0.40) EPHX2KDM4EALDH1A1GAAHPGD
SCHEMBL16621856 0.75 AAK1 (0.44) EPHX2AAK1
SCHEMBL21505720 0.75 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10AAK1
SCHEMBL6176223 0.75 AAK1 (0.48) GAAAAK1
SCHEMBL6176229 0.75 AAK1 (0.48) GAAAAK1
SCHEMBL9658222 0.74 KDM4E (0.41) EPHX2KDM4EALDH1A1GAAHPGD
SCHEMBL8459351 0.74 MTNR1A (0.45) KDM4EALDH1A1HPGDHSD17B10AAK1
SCHEMBL25075284 0.74 AAK1 (0.49) AAK1
SCHEMBL23045114 0.73 KDM4E (0.48) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL14830880 0.73 LMNA (0.46) AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609644-B2 Amino derivatives of androstanes and androstenes as medicaments for cardiovascular disorders SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2013-12-17 US disclosed
EP-2004668-B1 AMINO DERIVATIVES OF ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS SIGMA TAU IND FARMACEUTI (IT) 2013-03-13 EP disclosed
US-20110053902-A1 AMINO DERIVATIVES OF ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2011-03-03 US disclosed
EP-2004668-A2 AMINO DERIVATIVES OF ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2008-12-24 EP disclosed
WO-2007118832-A2 AMINO DERIVATIVES OF ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-10-25 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-20110053902-A1 AMINO DERIVATIVES OF ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS PKD1, ATP1A2, ATP1A1 EPHX2 2827/4885KDM4E 3995/4885ALDH1A1 1788/4885

“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.