SCHEMBL26951904

SCHEMBL26951904

CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C1=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSG P08311 1/20 0.48
▸ ITGB3 P05106 1/20 0.48
▸ ITGB1 P05556 1/20 0.48
▸ ITGAV P06756 1/20 0.48
▸ ITGA5 P08648 1/20 0.48
▸ ITGB5 P18084 1/20 0.48
▸ KEAP1 Q14145 1/20 0.47
▸ NFE2L2 Q16236 1/20 0.47
▸ KLK5 Q9Y337 3/20 0.47
▸ EPHA2 P29317 3/20 0.47
▸ KLKB1 P03952 3/20 0.46
▸ PIN1 Q13526 5/20 0.45
▸ ALB P02768 1/20 0.45
▸ CD274 Q9NZQ7 1/20 0.44
▸ ST14 Q9Y5Y6 1/20 0.44
▸ PLAU P00749 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
SCHEMBL26951919 0.96 CTSG (0.49) CTSGITGB3ITGB1ITGAVITGA5
SCHEMBL23743610 0.95 KLK5 (0.49) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL26951916 0.92 KEAP1 (0.48) CTSGITGB3ITGB1ITGAVITGA5
SCHEMBL26952055 0.91 KLKB1 (0.48) KEAP1NFE2L2KLK5EPHA2KLKB1
SCHEMBL23743537 0.90 KLKB1 (0.48) KEAP1NFE2L2KLK5EPHA2KLKB1
SCHEMBL26951558 0.89 KLKB1 (0.47) KEAP1NFE2L2KLK5EPHA2KLKB1
SCHEMBL26951743 0.89 KLKB1 (0.49) KEAP1NFE2L2KLK5EPHA2KLKB1
SCHEMBL26952071 0.87 KEAP1 (0.51) KEAP1NFE2L2KLK5KLKB1ALB
SCHEMBL26951937 0.87 KLKB1 (0.47) KEAP1NFE2L2KLK5EPHA2KLKB1
SCHEMBL23743518 0.85 KLKB1 (0.46) KEAP1NFE2L2KLK5EPHA2KLKB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230398224-A1 TARGETED PLASMA PROTEIN DEGRADATION NOVARTIS AG (CH) 2023-12-14 — — US disclosed
US-20230398224-A1 TARGETED PLASMA PROTEIN DEGRADATION NOVARTIS AG (CH) 2023-12-14 — — 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-20230398224-A1 TARGETED PLASMA PROTEIN DEGRADATION M6PR, ASGR1, IGF2R CTSG 379/4885ITGB3 2014/4885ITGB1 1194/4885

“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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