Sugi Predict

Sugi Predict / Compounds / SCHEMBL26951558

SCHEMBL26951558

SCHEMBL26951558

CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@@H](C(=O)NCC(=O)N[C@@H](CCCCNC(C)(C)C)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=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 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 6/20 0.47
▸ KLK5 Q9Y337 4/20 0.46
▸ KEAP1 Q14145 1/20 0.45
▸ NFE2L2 Q16236 1/20 0.45
▸ CD274 Q9NZQ7 2/20 0.44
▸ ALB P02768 1/20 0.43
▸ CIB1 Q99828 1/20 0.43
▸ PLAU P00749 1/20 0.43
▸ PDCD1 Q15116 1/20 0.43
▸ PIN1 Q13526 3/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ EPHA2 P29317 1/20 0.42

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
SCHEMBL23743537 0.95 KLKB1 (0.48) KLKB1KLK5KEAP1NFE2L2CD274
SCHEMBL23743610 0.94 KLK5 (0.49) KLKB1KLK5ALBPLAUPIN1
SCHEMBL26952055 0.94 KLKB1 (0.48) KLKB1KLK5KEAP1NFE2L2CD274
SCHEMBL26951743 0.94 KLKB1 (0.49) KLKB1KLK5KEAP1NFE2L2CD274
SCHEMBL23743518 0.92 KLKB1 (0.46) KLKB1KLK5KEAP1NFE2L2CD274
SCHEMBL26952071 0.91 KEAP1 (0.51) KLKB1KLK5KEAP1NFE2L2CD274
SCHEMBL26951937 0.91 KLKB1 (0.47) KLKB1KLK5KEAP1NFE2L2CD274
SCHEMBL26951904 0.89 CTSG (0.48) KLKB1KLK5KEAP1NFE2L2CD274
SCHEMBL26951915 0.88 KEAP1 (0.49) KLKB1KLK5KEAP1NFE2L2CD274
SCHEMBL24218680 0.88 KLKB1 (0.51) KLKB1KLK5KEAP1CD274ALB

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 KLKB1 1521/4885KLK5 3746/4885KEAP1 4411/4885

“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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