SCHEMBL5267330

SCHEMBL5267330

CCCCCCCCCCCCCCCC(=O)[C@H](C)NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.52
MEN1 O00255 1/20 0.49
FAAH O00519 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CTSS P25774 1/20 0.44
CES2 O00748 1/20 0.43

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
SCHEMBL5274850 1.00 CTSK (0.52) CTSKMEN1FAAHMAPK1KMT2A
SCHEMBL5272733 1.00 CTSK (0.52) CTSKMEN1FAAHMAPK1KMT2A
SCHEMBL5269470 1.00 CTSK (0.52) CTSKMEN1FAAHMAPK1KMT2A
SCHEMBL8777248 0.94 CTSK (0.55) CTSKCA1CA2CA7CTSS
SCHEMBL11122028 0.88 CA1 (0.44) CTSKMEN1KMT2ACA1CA2
SCHEMBL14923714 0.87 CA1 (0.49) CTSKKMT2ACA1CA2CA7
SCHEMBL30989585 0.84 CTSK (0.49) CTSKMEN1FAAHMAPK1KMT2A
SCHEMBL30989580 0.84 CTSK (0.49) CTSKMEN1FAAHMAPK1KMT2A
SCHEMBL30989578 0.84 CTSK (0.49) CTSKMEN1FAAHMAPK1KMT2A
SCHEMBL5274937 0.83 CTSK (0.55) CTSKMEN1FAAHMAPK1KMT2A

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 4264/4885MEN1 3148/4885FAAH 3419/4885

“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.