SCHEMBL13017677

SCHEMBL13017677

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.48
CTSS P25774 7/20 0.48
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CTSL P07711 2/20 0.40
CTSB P07858 2/20 0.40
CYP2D6 P10635 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
TRPA1 O75762 1/20 0.36
TSHR P16473 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
SCHEMBL9910753 1.00 CTSK (0.48) CTSKCTSSCA1CA2CA7
SCHEMBL25168226 1.00 CTSK (0.48) CTSKCTSSCA1CA2CA7
SCHEMBL18755031 0.82 CTSK (0.49) CTSKCTSSCA1CA2CA7
SCHEMBL10190348 0.82 CTSK (0.49) CTSKCTSSCA1CA2CA7
SCHEMBL1536360 0.82 CTSK (0.49) CTSKCTSSCA1CA2CA7
SCHEMBL18799498 0.82 CTSK (0.49) CTSKCTSSCA1CA2CA7
SCHEMBL12556753 0.80 CTSK (0.49) CTSKCTSSCA1CA2CA7
SCHEMBL31407815 0.79 CTSK (0.47) CTSKCTSSCA1CA2CA7
SCHEMBL31407801 0.79 CTSK (0.47) CTSKCTSSCA1CA2CA7
SCHEMBL12130746 0.79 SLC1A3 (0.40) SLC1A3SLC1A2SLC1A1

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-9212167-B2 Mitochondrial targeted stimulators of apoptosis THE ROCKEFELLER UNIVERSITY (US) 2015-12-15 US disclosed
US-20130244325-A1 MITOCHONDRIAL TARGETED STIMULATORS OF APOPTOSIS THE ROCKEFELLER UNIVERSITY (US) 2013-09-19 US disclosed
WO-2010138666-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. (US) 2010-12-02 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-20130244325-A1 MITOCHONDRIAL TARGETED STIMULATORS OF APOPTOSIS AIFM1, BID, TFAM CTSK 3026/4885CTSS 2027/4885CA1 4371/4885

“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.