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Sugi Predict / Compounds / SCHEMBL23110261

SCHEMBL23110261

SCHEMBL23110261

CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@@H](C(=O)NCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CN(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CN(C)C(=O)[C@H](CCC(=O)O)NC1=O

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 3/20 0.62
▸ PDCD1 Q15116 2/20 0.62
▸ CIB1 Q99828 4/20 0.57
▸ KLKB1 P03952 4/20 0.55
▸ CTSG P08311 1/20 0.54
▸ KLK5 Q9Y337 3/20 0.53
▸ PCSK9 Q8NBP7 1/20 0.52
▸ EPHA2 P29317 1/20 0.52
▸ ROR1 Q01973 1/20 0.50
▸ MC4R P32245 2/20 0.50
▸ MC5R P33032 2/20 0.50
▸ MC3R P41968 2/20 0.50
▸ MC1R Q01726 2/20 0.50

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
SCHEMBL23110257 0.95 KLKB1 (0.61) CD274PDCD1CIB1KLKB1KLK5
SCHEMBL23109953 0.94 CD274 (0.54) CD274PDCD1CIB1KLKB1CTSG
SCHEMBL23110202 0.94 KLKB1 (0.64) CD274PDCD1CIB1KLKB1PCSK9
SCHEMBL27332332 0.94 KLKB1 (0.64) CD274PDCD1CIB1KLKB1PCSK9
SCHEMBL23110146 0.92 KLKB1 (0.65) CD274PDCD1KLKB1PCSK9EPHA2
SCHEMBL23110262 0.92 KLKB1 (0.63) CD274PDCD1CIB1KLKB1PCSK9
SCHEMBL23110150 0.88 PDCD1 (0.59) CD274PDCD1CIB1KLKB1CTSG
SCHEMBL27332267 0.88 PDCD1 (0.59) CD274PDCD1CIB1KLKB1CTSG
SCHEMBL17810728 0.88 CD274 (0.73) CD274PDCD1CIB1KLKB1CTSG
SCHEMBL17810725 0.88 CD274 (0.73) CD274PDCD1CIB1KLKB1CTSG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018097-B2 Non-chromatographic purification of macrocyclic peptides by a resin catch and release BRISTOL-MYERS SQUIBB COMPANY (US) 2024-06-25 — — US disclosed
US-12018097-B2 Non-chromatographic purification of macrocyclic peptides by a resin catch and release BRISTOL-MYERS SQUIBB COMPANY (US) 2024-06-25 — — US disclosed
US-11479581-B2 Non-chromatographic purification of macrocyclic peptides by a resin catch and release BRISTOL-MYERS SQUIBB COMPANY (US) 2022-10-25 — — US disclosed
US-20210079046-A1 NON-CHROMATOGRAPHIC PURIFICATION OF MACROCYCLIC PEPTIDES BY A RESIN CATCH AND RELEASE BRISTOL-MYERS SQUIBB COMPANY 2021-03-18 — — 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-20210079046-A1 NON-CHROMATOGRAPHIC PURIFICATION OF MACROCYCLIC PEPTIDES BY A RESIN CATCH AND RELEASE ANPEP, DNPEP, NPR1 CD274 2215/4885PDCD1 2789/4885CIB1 3289/4885
US-11479581-B2 Non-chromatographic purification of macrocyclic peptides by a resin catch and release ANPEP, NPR1, DNPEP CD274 2199/4885PDCD1 2810/4885CIB1 3148/4885
US-12018097-B2 Non-chromatographic purification of macrocyclic peptides by a resin catch and release VIP, NPR1, NPPA CD274 2624/4885PDCD1 3069/4885CIB1 3110/4885

“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.