SCHEMBL14770862

SCHEMBL14770862

CNCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 2/20 0.44
▸ MDM2 Q00987 4/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ MDM4 O15151 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42

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
SCHEMBL16925663 0.92 KMT2A (0.53) TLR2MDM2KMT2AMDM4TP53
SCHEMBL31010133 0.88 KMT2A (0.52) TLR2MDM2KMT2A
SCHEMBL20435349 0.88 KMT2A (0.52) TLR2MDM2KMT2A
SCHEMBL29400519 0.88 TLR2 (0.51) TLR2MDM2KMT2AMDM4TP53
SCHEMBL12852253 0.88 TLR2 (0.51) TLR2MDM2KMT2AMDM4TP53
SCHEMBL29521704 0.88 TLR2 (0.51) TLR2MDM2KMT2AMDM4TP53
SCHEMBL31493934 0.88 TLR2 (0.51) TLR2MDM2KMT2AMDM4TP53
SCHEMBL5312217 0.88 TLR2 (0.51) TLR2MDM2KMT2AMDM4TP53
SCHEMBL19670752 0.87 KMT2A (0.45) TLR2MDM2KMT2AMDM4TP53
SCHEMBL29323047 0.86 TLR2 (0.46) TLR2MDM2KMT2A

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-20130065248-A1 REAGENTS AND METHODS FOR SIRTUIN CAPTURE CORNELL UNIVERSITY (US) 2013-03-14 — — 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-20130065248-A1 REAGENTS AND METHODS FOR SIRTUIN CAPTURE SIRT3, SIRT1, SIRT2 TLR2 2963/4885MDM2 726/4885KMT2A 327/4885

“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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