SCHEMBL13599678

SCHEMBL13599678

C[C@H](NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ MAPT P10636 1/20 0.58
▸ KLK7 P49862 2/20 0.57
▸ KLK5 Q9Y337 2/20 0.57
▸ SIRT5 Q9NXA8 2/20 0.55
▸ SIRT2 Q8IXJ6 6/20 0.55
▸ SIRT1 Q96EB6 5/20 0.55
▸ SIRT3 Q9NTG7 3/20 0.55

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
SCHEMBL13599684 0.95 MAPT (0.57) L3MBTL1MAPTKLK7KLK5SIRT5
SCHEMBL29813489 0.94 MAPT (0.56) MAPTKLK7KLK5SIRT5SIRT2
SCHEMBL30064541 0.93 MAPT (0.62) L3MBTL1MAPTKLK7KLK5
SCHEMBL17039826 0.91 FOLH1 (0.60) MAPTKLK7KLK5SIRT5SIRT2
SCHEMBL27497192 0.91 KLK7 (0.63) MAPTKLK7KLK5SIRT2SIRT1
SCHEMBL30544856 0.91 KLK7 (0.63) MAPTKLK7KLK5SIRT2SIRT1
SCHEMBL30668140 0.90 KLK7 (0.57) L3MBTL1MAPTKLK7KLK5
SCHEMBL28589406 0.90 KLK7 (0.60) MAPTKLK7KLK5
SCHEMBL2291347 0.90 KLK7 (0.60) MAPTKLK7KLK5
SCHEMBL30902797 0.90 MAPT (0.62) MAPTKLK7KLK5SIRT5SIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090311203-A1 GEM-DIFLUORIDE C-GLYCOPEPTIDE COMPOUNDS, THEIR PREPARATION AND USE PARTICULARLY FOR PRESERVATION OF BIOLOGICAL MATERIALS INSTITUT NATIONAL DES SCIENCES APPLIQUEES DE ROUEN (INSA) (FR) 2009-12-17 — — 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-20090311203-A1 GEM-DIFLUORIDE C-GLYCOPEPTIDE COMPOUNDS, THEIR PREPARATION AND USE PARTICULARLY FOR PRESERVATION OF BIOLOGICAL MATERIALS B3GAT3, GMFG, GYPA L3MBTL1 592/4885MAPT 3774/4885KLK7 4383/4885

“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.

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