SCHEMBL5269740

SCHEMBL5269740

CCCCCCCCCCCCCCC[C@@H](N)[C@H](C)NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.50
CTSS P25774 1/20 0.45
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42

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
SCHEMBL5268379 1.00 CTSK (0.50) CTSKCTSSCA1CA2CA7
SCHEMBL14923592 0.94 CTSK (0.56) CTSKCTSS
SCHEMBL14923701 0.88 CTSK (0.48) CTSKCTSSCA1CA2CA7
SCHEMBL5269469 0.84 CTSK (0.51) CTSKCTSSCA1CA2CA7
SCHEMBL5276500 0.84 CTSK (0.51) CTSKCTSSCA1CA2CA7
SCHEMBL5268067 0.84 CTSK (0.51) CTSKCTSSCA1CA2CA7
SCHEMBL30638293 0.83 CTSK (0.50) CTSKCTSS
SCHEMBL28600066 0.83 CTSK (0.50) CTSKCTSS
SCHEMBL10706331 0.83 CTSK (0.50) CTSKCTSS
SCHEMBL28618599 0.83 CTSK (0.50) CTSKCTSS

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
EP-1287006-B1 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2007-10-24 EP disclosed
US-7138547-B2 Antitumoral compounds PHARMA MAR, S.A. 2006-11-21 US disclosed
US-20040048834-A1 Antitumoral compounds PHARMA MAR, S.A. (ES) 2004-03-11 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-20040048834-A1 Antitumoral compounds HCCS, MSR1, SUCNR1 CTSK 4264/4885CTSS 2159/4885CA1 973/4885

“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.