SCHEMBL23344152

SCHEMBL23344152

CCc1ccc(NC(=O)[C@H](CCCCNC(N)=O)NC(=O)C(NC(C)=O)C(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 2/20 0.50
▸ HTT P42858 1/20 0.46
▸ PTPN2 P17706 2/20 0.43
▸ PTPN1 P18031 2/20 0.43
▸ SIRT5 Q9NXA8 1/20 0.42
▸ SIRT1 Q96EB6 7/20 0.42
▸ SIRT2 Q8IXJ6 6/20 0.42
▸ SIRT3 Q9NTG7 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ ALB P02768 1/20 0.40
▸ SIRT6 Q8N6T7 1/20 0.39

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
SCHEMBL22064590 0.97 FURIN (0.51) FURINHTTPTPN2PTPN1SIRT5
SCHEMBL16847753 0.89 FURIN (0.43) FURINHTTSIRT5SIRT1SIRT2
SCHEMBL19466303 0.88 FURIN (0.42) FURINHTTSMN1; SMN2CA1CA2
SCHEMBL19466325 0.88 FURIN (0.42) FURINHTTSMN1; SMN2CA1CA2
SCHEMBL27291528 0.88 FURIN (0.49) FURINHTTSIRT1SIRT2SIRT3
SCHEMBL20149172 0.87 FURIN (0.49) FURINHTTSIRT1SIRT2SIRT3
SCHEMBL26431147 0.87 HTT (0.46) FURINHTTSIRT5SIRT1SMN1; SMN2
SCHEMBL19591557 0.86 FURIN (0.49) FURINHTTSIRT1SIRT2
SCHEMBL27291530 0.86 FURIN (0.51) FURINHTTSMN1; SMN2TP53
SCHEMBL22266602 0.86 ALB (0.43) FURINHTTSIRT5SIRT1SMN1; SMN2

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-20210138081-A1 Amanitin Conjugates HEIDELBERG PHARMA RESEARCH GMBH (DE) 2021-05-13 — — 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-20210138081-A1 Amanitin Conjugates CD47, MTX1, SIGLEC7 FURIN 1247/4885HTT 852/4885PTPN2 3390/4885

“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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