SCHEMBL24918853

SCHEMBL24918853

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@]1(C)CCC/C=C\CCC[C@@](C)(C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)C(C)(C)C)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC1=O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BCL2A1 Q16548 4/20 0.50
▸ ESR1 P03372 3/20 0.50
▸ ESR2 Q92731 3/20 0.50
▸ MCL1 Q07820 3/20 0.50
▸ KRAS P01116 6/20 0.50
▸ MAFG O15525 1/20 0.47
▸ HSP90AB1 P08238 1/20 0.47
▸ NFE2L2 Q16236 1/20 0.47
▸ CTNNB1 P35222 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
SCHEMBL22803251 0.93 BCL2A1 (0.51) BCL2A1ESR1ESR2MCL1KRAS
SCHEMBL20694605 0.92 ESR1 (0.52) BCL2A1ESR1ESR2MCL1KRAS
SCHEMBL24918858 0.87 KRAS (0.52) BCL2A1ESR1ESR2MCL1KRAS
SCHEMBL29343923 0.86 MCL1 (0.45) BCL2A1ESR1ESR2MCL1KRAS
SCHEMBL22803116 0.84 MAFG (0.63) BCL2A1ESR1ESR2MCL1KRAS
SCHEMBL24919299 0.82 KRAS (0.47) BCL2A1ESR1ESR2MCL1KRAS
SCHEMBL24918851 0.81 CTNNB1 (0.49) BCL2A1ESR1ESR2MCL1KRAS
SCHEMBL26421014 0.81 CTNNB1 (0.49) BCL2A1ESR1ESR2MCL1KRAS
SCHEMBL22802820 0.81 ESR1 (0.50) BCL2A1ESR1ESR2MCL1KRAS
SCHEMBL24919560 0.81 ESR1 (0.50) BCL2A1ESR1ESR2MCL1KRAS

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-20240238436-A1 COMPOSITIONS INCLUDING CONJUGATED THERAPY ENHANCERS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-07-18 — — US disclosed
US-20230128688-A1 DIRECTED CONJUGATION TECHNOLOGIES KLEO PHARMACEUTICALS, INC. 2023-04-27 — — US disclosed
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 (3 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-20230128688-A1 DIRECTED CONJUGATION TECHNOLOGIES CD2BP2, CD2, CD47 BCL2A1 3952/4885ESR1 991/4885ESR2 3276/4885
US-20240238436-A1 COMPOSITIONS INCLUDING CONJUGATED THERAPY ENHANCERS LGMN, LPXN, LY96 BCL2A1 1725/4885ESR1 409/4885ESR2 1737/4885
US-20230028880-A1 CD38-BINDING AGENTS AND USES THEREOF CD38, CD47, CD2 BCL2A1 979/4885ESR1 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.

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