SCHEMBL27122575

SCHEMBL27122575

O=C(NC(CCN1CCOCC1)C(=O)O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.55
ITGA2B P08514 6/20 0.55
SIRT2 Q8IXJ6 1/20 0.54
SIRT1 Q96EB6 1/20 0.54
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HRH1 P35367 1/20 0.50
CTSL P07711 1/20 0.49
CTSK P43235 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 2/20 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
SCHEMBL26966086 1.00 ITGB3 (0.55) ITGB3ITGA2BSIRT2SIRT1MEN1
SCHEMBL17444424 0.93 ITGB3 (0.58) ITGB3ITGA2BSIRT2SIRT1MEN1
SCHEMBL19125083 0.93 ITGB3 (0.58) ITGB3ITGA2BSIRT2SIRT1MEN1
SCHEMBL27273354 0.93 SIRT2 (0.54) ITGB3ITGA2BSIRT2SIRT1MEN1
SCHEMBL5967157 0.88 HRH1 (0.59) ITGB3ITGA2BSIRT2SIRT1MEN1
SCHEMBL17444419 0.84 SIRT2 (0.58) ITGB3ITGA2BSIRT2SIRT1CTSL
SCHEMBL17444420 0.84 SIRT2 (0.58) ITGB3ITGA2BSIRT2SIRT1CTSL
SCHEMBL19125526 0.84 ITGB3 (0.66) ITGB3ITGA2BMEN1KMT2ANPSR1
SCHEMBL12447237 0.83 MEN1 (0.52) SIRT2SIRT1MEN1KMT2ANPSR1
SCHEMBL7284529 0.83 ALDH1A1 (0.60) ITGB3ITGA2BMEN1KMT2AALDH1A1

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-20230406885-A1 CYCLIC PEPTIDES FOR TRAPPING INTERLEUKIN-1 BETA MERCK SHARP & DOHME LLC (US) 2023-12-21 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-20230406885-A1 CYCLIC PEPTIDES FOR TRAPPING INTERLEUKIN-1 BETA IL1A, IL1B, IL1R1 ITGB3 1465/4885ITGA2B 869/4885SIRT2 2355/4885

“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.