SCHEMBL13530111

SCHEMBL13530111

CCOP(=O)(O)CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 4/20 0.56
SIRT1 Q96EB6 4/20 0.56
ECE1 P42892 3/20 0.55
MME P08473 2/20 0.55
CETP P11597 3/20 0.52
CTSL P07711 1/20 0.52
CTSS P25774 1/20 0.52
FOLH1 Q04609 2/20 0.51
ITGB3 P05106 2/20 0.50
ITGAV P06756 2/20 0.50
TGM2 P21980 2/20 0.48
KYNU Q16719 1/20 0.48
SIRT3 Q9NTG7 1/20 0.48

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
SCHEMBL1111237 0.88 SIRT2 (0.54) SIRT2SIRT1ECE1MMECTSL
SCHEMBL1111300 0.88 SIRT2 (0.54) SIRT2SIRT1ECE1MMECTSL
SCHEMBL1111240 0.88 SIRT2 (0.54) SIRT2SIRT1ECE1MMECTSL
SCHEMBL13530114 0.87 ECE1 (0.57) SIRT2SIRT1ECE1MMECTSL
SCHEMBL3171832 0.87 ECE1 (0.57) SIRT2SIRT1ECE1MMECTSL
SCHEMBL1111109 0.85 SIRT2 (0.53) SIRT2SIRT1ECE1MMECTSL
SCHEMBL1111167 0.85 SIRT2 (0.53) SIRT2SIRT1ECE1MMECTSL
SCHEMBL1111112 0.85 SIRT2 (0.53) SIRT2SIRT1ECE1MMECTSL
SCHEMBL8387978 0.84 FOLH1 (0.65) SIRT2SIRT1ECE1CTSLCTSS
SCHEMBL8848864 0.83 SIRT2 (0.62) SIRT2SIRT1ECE1MMECTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 US disclosed
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 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-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN SIRT2 3197/4885SIRT1 3020/4885ECE1 2821/4885

“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.