SCHEMBL22951115

SCHEMBL22951115

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

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.52
▸ MDM4 O15151 2/20 0.49
▸ TP53 P04637 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ PIN1 Q13526 1/20 0.46
▸ EPHX2 P34913 1/20 0.46
▸ MDM2 Q00987 1/20 0.44

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
SCHEMBL29908073 0.93 CASP3 (0.54) CASP3MDM4TP53KMT2APIN1
SCHEMBL29477078 0.93 CASP3 (0.54) CASP3MDM4TP53KMT2APIN1
SCHEMBL29352152 0.93 CASP3 (0.54) CASP3MDM4TP53KMT2APIN1
SCHEMBL2551441 0.93 CASP3 (0.54) CASP3MDM4TP53KMT2APIN1
SCHEMBL1486191 0.93 CASP3 (0.54) CASP3MDM4TP53KMT2APIN1
SCHEMBL30147576 0.93 CASP3 (0.54) CASP3MDM4TP53KMT2APIN1
SCHEMBL1486209 0.93 CASP3 (0.54) CASP3MDM4TP53KMT2APIN1
SCHEMBL119400 0.93 CASP3 (0.54) CASP3MDM4TP53KMT2APIN1
SCHEMBL31610887 0.93 CASP3 (0.54) CASP3MDM4TP53KMT2APIN1
SCHEMBL7822425 0.93 CASP3 (0.54) CASP3MDM4TP53KMT2APIN1

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-20210030887-A1 NON-NATURAL AMATOXIN-TYPE ANTIBODY CONJUGATE SYSTIMMUNE, INC. 2021-02-04 — — 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-20210030887-A1 NON-NATURAL AMATOXIN-TYPE ANTIBODY CONJUGATE CD47, ANPEP, NGLY1 CASP3 1236/4885MDM4 3653/4885TP53 549/4885

“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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