SCHEMBL8230752

SCHEMBL8230752

CCOC(=O)CN(CC1CC1)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
F7 P08709 1/20 0.37
CTSK P43235 2/20 0.37
CTSS P25774 1/20 0.37
KMT2A Q03164 2/20 0.36
CTSL P07711 1/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CYP2D6 P10635 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL6825598 0.96 F7 (0.40) CYP1A2CYP2C9CYP2C19HTTF7
SCHEMBL8717261 0.84 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19HTTF7
SCHEMBL6822145 0.81 CTSK (0.42) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL14364462 0.77 DPP4 (0.41) CA1CA2SMN1; SMN2
SCHEMBL8221898 0.77 DPP4 (0.41) CA1CA2SMN1; SMN2
SCHEMBL5532294 0.73 CTSK (0.42) CTSKCTSSKMT2ACTSLCA1
SCHEMBL5532292 0.73 CTSK (0.42) CTSKCTSSKMT2ACTSLCA1
SCHEMBL5527345 0.72 CTSK (0.42) CTSKCTSSKMT2ACTSLCA1
SCHEMBL4665948 0.72 CTSK (0.42) CTSKCTSSKMT2ACTSLCA1
SCHEMBL21974625 0.71 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19HTTCTSK

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-20070265281-A1 Organic Compounds and Their Uses COTTENS SYLVAIN 2007-11-15 US disclosed
US-20070265281-A1 Organic Compounds and Their Uses COTTENS SYLVAIN 2007-11-15 US disclosed
WO-2007121125-A2 HCV INHIBITORS NOVARTIS AG (CH) 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-20070265281-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 CYP1A2 111/4885CYP2C9 228/4885CYP2C19 388/4885

“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.