SCHEMBL29493550

SCHEMBL29493550

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

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.63
▸ MDM4 O15151 2/20 0.48
▸ TP53 P04637 2/20 0.48
▸ KMT2A Q03164 2/20 0.47
▸ PIN1 Q13526 1/20 0.45
▸ EPHX2 P34913 1/20 0.45

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
SCHEMBL29415586 1.00 CASP3 (0.63) CASP3MDM4TP53KMT2APIN1
SCHEMBL29423393 1.00 CASP3 (0.63) CASP3MDM4TP53KMT2APIN1
SCHEMBL2558967 1.00 CASP3 (0.63) CASP3MDM4TP53KMT2APIN1
SCHEMBL15480253 1.00 CASP3 (0.63) CASP3MDM4TP53KMT2APIN1
SCHEMBL8904188 1.00 CASP3 (0.63) CASP3MDM4TP53KMT2APIN1
SCHEMBL29415589 1.00 CASP3 (0.63) CASP3MDM4TP53KMT2APIN1
SCHEMBL16401903 1.00 CASP3 (0.63) CASP3MDM4TP53KMT2APIN1
SCHEMBL2558970 1.00 CASP3 (0.63) CASP3MDM4TP53KMT2APIN1
SCHEMBL22283176 1.00 CASP3 (0.63) CASP3MDM4TP53KMT2APIN1
SCHEMBL23138547 0.94 CASP3 (0.58) CASP3MDM4TP53KMT2AEPHX2

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-20220135594-A1 METHODS OF SYNTHESIS AND INTERMEDIATES MEDIMMUNE LIMITED (GB) 2022-05-05 — — 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-20220135594-A1 METHODS OF SYNTHESIS AND INTERMEDIATES PRTN3, NPR3, QPCTL CASP3 188/4885MDM4 1434/4885TP53 1510/4885

“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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