SCHEMBL5268864

SCHEMBL5268864

CCCCCCCCCCCCCCC[C@H](O)[C@H](C)NC(=O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 14/20 0.55
SIRT1 Q96EB6 9/20 0.55
SIRT3 Q9NTG7 6/20 0.54
CTSL P07711 1/20 0.54
CTSS P25774 1/20 0.54
MBOAT4 Q96T53 1/20 0.51
CTSK P43235 1/20 0.50

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
SCHEMBL5275326 0.86 SIRT2 (0.54) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL14396102 0.86 SIRT2 (0.58) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL30047061 0.86 SIRT2 (0.58) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL29179927 0.86 SIRT2 (0.58) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL5973119 0.84 CTSL (0.58) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL29144124 0.84 CTSL (0.58) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL14561268 0.84 ATM (0.56) CTSLCTSSCTSK
SCHEMBL5492475 0.83 SIRT2 (0.52) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL4787188 0.82 SIRT2 (0.76) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL31191871 0.82 SIRT2 (0.57) SIRT2SIRT1SIRT3CTSLCTSS

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 SIRT2 1778/4885SIRT1 2697/4885SIRT3 2039/4885

“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.