SCHEMBL18100002

SCHEMBL18100002

C=CCOC(=O)N[C@@H](CCCCNC)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 11/20 0.44
▸ SIRT1 Q96EB6 11/20 0.44
▸ SIRT3 Q9NTG7 3/20 0.44
▸ SIRT5 Q9NXA8 3/20 0.44
▸ TGM2 P21980 4/20 0.41

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
SCHEMBL17661281 0.90 SIRT2 (0.50) SIRT2SIRT1SIRT3TGM2
SCHEMBL19017843 0.89 SIRT2 (0.46) SIRT2SIRT1SIRT3TGM2
SCHEMBL16847608 0.87 MAPT (0.49) SIRT2SIRT1SIRT3SIRT5TGM2
SCHEMBL19017845 0.87 MAPT (0.49) SIRT2SIRT1SIRT3SIRT5TGM2
SCHEMBL18100019 0.82 SIRT2 (0.51) SIRT2SIRT1SIRT3TGM2
SCHEMBL5550454 0.80 KMT2A (0.46) SIRT2SIRT1SIRT3SIRT5
SCHEMBL5550449 0.80 KMT2A (0.46) SIRT2SIRT1SIRT3SIRT5
SCHEMBL12285414 0.80 PSMB8 (0.47) SIRT2SIRT1SIRT3SIRT5
SCHEMBL31123880 0.79 SIRT5 (0.40) SIRT2SIRT1SIRT3SIRT5TGM2
SCHEMBL29768879 0.79 NPC1 (0.40) —

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-20160279261-A1 PEPTIDOMIMETIC COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH, INC. (US) 2016-09-29 — — 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-20160279261-A1 PEPTIDOMIMETIC COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF DNPEP, LNPEP, BCR SIRT2 3885/4885SIRT1 3409/4885SIRT3 4270/4885

“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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