SCHEMBL9103905

SCHEMBL9103905

CC(C)C[C@@H](C(=O)N1CCOCC1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 1/20 0.41
POLB P06746 2/20 0.40
CTSS P25774 5/20 0.40
TSHR P16473 1/20 0.39
AIMP2 Q13155 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CTSK P43235 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MME P08473 1/20 0.36
CTSD P07339 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
USP2 O75604 1/20 0.36
PKM P14618 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
SCHEMBL3738889 0.86 CTSD (0.40) CYP3A4CYP2C19GAAPOLBCTSS
SCHEMBL5010243 0.83 HPGD (0.34)
SCHEMBL16524150 0.83 HPGD (0.34)
SCHEMBL4706202 0.83 CYP3A4 (0.39) CYP3A4CYP2C19GAAPOLBCTSS
SCHEMBL4702765 0.80 CYP3A4 (0.42) CYP3A4CYP2C19GAAPOLBCTSS
SCHEMBL4704578 0.80 ALDH1A1 (0.37) CYP3A4CYP2C19GAAPOLBCTSS
SCHEMBL4705463 0.80 ALDH1A1 (0.37) CYP3A4CYP2C19GAAPOLBCTSS
SCHEMBL4703501 0.79 ALDH1A1 (0.33) CYP3A4CYP2C19GAAPOLBCTSS
SCHEMBL4705390 0.75 TSHR (0.46) TSHRMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4704282 0.75 CHRM1 (0.44) POLBTSHRALDH1A1MMESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142668-A1 CATHEPSIN C INHIBITORS GLAXO GROUP LIMITED (GB) 2012-06-07 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-20120142668-A1 CATHEPSIN C INHIBITORS CTSE, CTSB, CTSS CYP3A4 2008/4885CYP2C19 1151/4885GAA 21/4885

“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.