SCHEMBL4456622

SCHEMBL4456622

NS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA9 Q16790 2/20 0.55
SIRT2 Q8IXJ6 1/20 0.52
SIRT1 Q96EB6 1/20 0.52
CASP1 P29466 3/20 0.51
ITGB3 P05106 4/20 0.50
ITGA2B P08514 4/20 0.50
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50
CTSL P07711 1/20 0.50
CTSS P25774 1/20 0.50
CTSK P43235 2/20 0.49
FOLH1 Q04609 1/20 0.49

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
SCHEMBL4456625 1.00 CA12 (0.55) CA12CA1CA2CA9SIRT2
SCHEMBL4035564 0.88 CTSL (0.52) CA12CA1CA2CA9SIRT2
SCHEMBL4035562 0.88 CTSL (0.52) CA12CA1CA2CA9SIRT2
SCHEMBL8346395 0.87 SIRT2 (0.52) SIRT2SIRT1CASP1PPARGPPARA
SCHEMBL7349434 0.86 CA12 (0.57) CA12CA1CA2CA9CASP1
SCHEMBL9686663 0.86 CA12 (0.57) CA12CA1CA2CA9CASP1
SCHEMBL13599756 0.86 CTSS (0.55) CA12CA1CA2CA9SIRT2
SCHEMBL13599757 0.85 CTSS (0.54) CA12CA1CA2CA9SIRT2
SCHEMBL265783 0.83 CTSK (0.66) SIRT2SIRT1PPARGPPARACTSL
SCHEMBL329038 0.83 CTSK (0.66) SIRT2SIRT1PPARGPPARACTSL

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-20090312260-A1 DRUG THERAPY FOR CELIAC SPRUE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2009-12-17 US disclosed
US-5629406-A AMINO ACID DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1997-05-13 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-20090312260-A1 DRUG THERAPY FOR CELIAC SPRUE SI, DNPEP, SPINT2 CA12 346/4885CA1 360/4885CA2 183/4885

“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.