SCHEMBL30529863

SCHEMBL30529863

CC(C)[C@H](NC(=O)[C@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)C(=O)N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.42
MDM4 O15151 2/20 0.38
TP53 P04637 2/20 0.38
PTPN1 P18031 3/20 0.35
REN P00797 1/20 0.35
KMT2A Q03164 1/20 0.34

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
SCHEMBL29824215 0.94 CASP3 (0.38) CASP3MDM4TP53PTPN1KMT2A
SCHEMBL18764578 0.89 CASP3 (0.49) CASP3MDM4TP53PTPN1KMT2A
SCHEMBL29812486 0.88 MDM4 (0.43) CASP3MDM4TP53PTPN1KMT2A
SCHEMBL31312827 0.87 MDM4 (0.47) CASP3MDM4TP53PTPN1KMT2A
SCHEMBL30529867 0.87 CASP3 (0.39) CASP3MDM4TP53PTPN1KMT2A
SCHEMBL29824093 0.87 CASP3 (0.37) CASP3MDM4TP53PTPN1KMT2A
SCHEMBL29812836 0.86 PTPN1 (0.39) CASP3MDM4TP53PTPN1
SCHEMBL31279395 0.86 CASP3 (0.40) CASP3MDM4TP53PTPN1
SCHEMBL22266614 0.85 MDM4 (0.46) CASP3MDM4TP53KMT2A
SCHEMBL22266611 0.85 MDM4 (0.46) CASP3MDM4TP53KMT2A

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-20230242581-A1 SYNTHESIS OF A GUANYLATE CYCLASE AGONIST BY FRAGMENTS BASED APPROACH ANTHEM BIOSCIENCES PRIVATE LIMITED (IN) 2023-08-03 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-20230242581-A1 SYNTHESIS OF A GUANYLATE CYCLASE AGONIST BY FRAGMENTS BASED APPROACH GUCY1B2, PLEC, GUCY1A2 CASP3 1825/4885MDM4 4851/4885TP53 4784/4885

“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.