SCHEMBL24919299

SCHEMBL24919299

CCC(=O)[C@]1(C)CCC/C=C\CCC[C@](C)(NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CCC(N)=O)[C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KRAS P01116 6/20 0.47
ESR1 P03372 3/20 0.47
ESR2 Q92731 3/20 0.47
BCL2A1 Q16548 4/20 0.46
MCL1 Q07820 3/20 0.46
MAFG O15525 1/20 0.45
HSP90AB1 P08238 1/20 0.42
RXFP3 Q9NSD7 2/20 0.42
RXFP4 Q8TDU9 1/20 0.41

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
SCHEMBL24918858 0.91 KRAS (0.52) KRASESR1ESR2BCL2A1MCL1
SCHEMBL20694605 0.86 ESR1 (0.52) KRASESR1ESR2BCL2A1MCL1
SCHEMBL22803251 0.85 BCL2A1 (0.51) KRASESR1ESR2BCL2A1MCL1
SCHEMBL24918853 0.82 BCL2A1 (0.50) KRASESR1ESR2BCL2A1MCL1
SCHEMBL29343923 0.77 MCL1 (0.45) KRASESR1ESR2BCL2A1MCL1
SCHEMBL22803116 0.74 MAFG (0.63) KRASESR1ESR2BCL2A1MCL1
SCHEMBL20694604 0.70 ESR1 (0.52) KRASESR1ESR2BCL2A1MCL1
SCHEMBL20694567 0.70 ESR1 (0.53) ESR1ESR2BCL2A1MCL1MAFG
SCHEMBL20694360 0.70 ESR1 (0.49) KRASESR1ESR2BCL2A1MCL1
SCHEMBL22802822 0.69 ESR1 (0.52) ESR1ESR2BCL2A1MCL1MAFG

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-20230028880-A1 CD38-BINDING AGENTS AND USES THEREOF KLEO PHARMACEUTICALS, INC. 2023-01-26 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-20230028880-A1 CD38-BINDING AGENTS AND USES THEREOF CD38, CD47, CD2 KRAS 307/4885ESR1 1324/4885ESR2 2635/4885

“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.