SCHEMBL12297763

SCHEMBL12297763

COc1ccc(C[C@](C)(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 1/20 0.46
▸ ITGB3 P05106 1/20 0.46
▸ ITGA2B P08514 1/20 0.46
▸ KMT2A Q03164 2/20 0.44
▸ MDM4 O15151 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ FABP5 Q01469 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ GAA P10253 1/20 0.40
▸ CASP3 P42574 2/20 0.40
▸ MMP1 P03956 1/20 0.40
▸ MMP13 P45452 1/20 0.40

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
SCHEMBL30802567 0.91 KMT2A (0.49) ITGB3ITGA2BKMT2AMDM4TP53
SCHEMBL29855073 0.91 KMT2A (0.49) ITGB3ITGA2BKMT2AMDM4TP53
SCHEMBL31195699 0.91 KMT2A (0.49) ITGB3ITGA2BKMT2AMDM4TP53
SCHEMBL18237209 0.91 KMT2A (0.49) ITGB3ITGA2BKMT2AMDM4TP53
SCHEMBL12297754 0.91 KMT2A (0.49) ITGB3ITGA2BKMT2AMDM4TP53
SCHEMBL25362440 0.91 ITGB3 (0.45) MDM2ITGB3ITGA2BKMT2AMDM4
SCHEMBL25362437 0.91 ITGB3 (0.45) MDM2ITGB3ITGA2BKMT2AMDM4
SCHEMBL12568253 0.89 KMT2A (0.46) MDM2ITGB3ITGA2BKMT2AMDM4
SCHEMBL32683646 0.88 KMT2A (0.45) MDM2ITGB3ITGA2BKMT2AMDM4
SCHEMBL18614206 0.88 KMT2A (0.45) MDM2ITGB3ITGA2BKMT2AMDM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110223149-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2011-09-15 — — US disclosed
US-20110223149-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2011-09-15 — — US disclosed
WO-2011047215-A1 IMPROVED PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2011-04-21 — — WO 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-20110223149-A1 PEPTIDOMIMETIC MACROCYCLES PREP, ANPEP, DNPEP MDM2 1052/4885ITGB3 4446/4885ITGA2B 4712/4885

“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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