SCHEMBL4314933

SCHEMBL4314933

CCCN1C[C@@H](O)[C@@H](NC(=O)[C@@H](N)CC2CCCCC2)CC[C@H]1C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.35
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
REN P00797 1/20 0.34
CTSK P43235 1/20 0.30

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
SCHEMBL4314936 1.00 METAP2 (0.35) METAP2ALDH1A1KMT2ARENCTSK
SCHEMBL4314924 1.00 METAP2 (0.35) METAP2ALDH1A1KMT2ARENCTSK
SCHEMBL4317290 0.83 CACNA1B (0.38) CTSK
SCHEMBL5949181 0.80 CTSK (0.50) RENCTSK
SCHEMBL4314512 0.78 CTSK (0.38) METAP2ALDH1A1KMT2ARENCTSK
SCHEMBL6217307 0.72 METAP2 (0.42) METAP2ALDH1A1KMT2ARENCTSK
SCHEMBL6740600 0.72 CTSK (0.51) CTSK
SCHEMBL4312984 0.72 CTSK (0.51) CTSK
SCHEMBL6740603 0.72 CTSK (0.51) CTSK
Hydrochloric Acid SCHEMBL5983242 0.70 CTSK (0.49) CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7563784-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-21 US disclosed
US-20060194787-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2006-08-31 US disclosed
US-7071184-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2006-07-04 US disclosed
US-20040229863-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2004-11-18 US disclosed
US-20040044201-A1 Protease inhibitors GLAXOSMITHKLINE LLC 2004-03-04 US disclosed
US-20030114437-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-06-19 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 (4 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-20030114437-A1 Protease inhibitors CTSS, CTSE, CTSF METAP2 50/4885ALDH1A1 2215/4885KMT2A 2577/4885
US-20060194787-A1 Protease inhibitors CTSK, CTSL, CTSZ METAP2 577/4885ALDH1A1 2646/4885KMT2A 2453/4885
US-20040044201-A1 Protease inhibitors CTSK, CTSE, CTSZ METAP2 312/4885ALDH1A1 3139/4885KMT2A 2374/4885
US-20040229863-A1 Protease inhibitors CTSS, CTSE, CTSF METAP2 50/4885ALDH1A1 2215/4885KMT2A 2577/4885

“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.