SCHEMBL4914151

SCHEMBL4914151

CN(CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O)C(=O)OC(C)(C)C(Cl)(Cl)Cl

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.45
CTSS P25774 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
F10 P00742 1/20 0.37
JAK3 P52333 1/20 0.37
BTK Q06187 1/20 0.37
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 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
SCHEMBL18531994 0.90 CTSK (0.50) CTSKCTSSALDH1A1TSHRF10
SCHEMBL4913893 0.90 CTSK (0.44) CTSKCTSSF10JAK3BTK
SCHEMBL1411658 0.81 CTSK (0.48) CTSKCTSSALDH1A1TSHRJAK3
SCHEMBL21571253 0.81 CTSK (0.48) CTSKCTSSALDH1A1TSHRJAK3
SCHEMBL3004548 0.81 CTSK (0.48) CTSKCTSSALDH1A1TSHRJAK3
SCHEMBL4906108 0.80 PREP (0.42) CTSKTSHRHDAC1
SCHEMBL14150791 0.79 CTSK (0.56) CTSKCTSSALDH1A1TSHRMEN1
SCHEMBL6745774 0.79 CTSK (0.56) CTSKCTSSALDH1A1TSHRMEN1
SCHEMBL18057194 0.78 CTSK (0.48) CTSKCTSSALDH1A1TSHRMEN1
SCHEMBL24642411 0.77 CTSK (0.41) CTSKCTSSALDH1A1TSHRF10

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-20080255126-A1 Inhibitors of post-proline cleaving proteases FERRING B.V. 2008-10-16 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-20080255126-A1 Inhibitors of post-proline cleaving proteases PREP, PEPD, DPP4 CTSK 336/4885CTSS 95/4885ALDH1A1 1180/4885

“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.