Sugi Predict

Sugi Predict / Compounds / SCHEMBL23110201

SCHEMBL23110201

SCHEMBL23110201

CC(C)C1NC(=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)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CN(C)C(=O)CNC1=O

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 3/20 0.62
▸ KLKB1 P03952 7/20 0.59
▸ PDCD1 Q15116 2/20 0.57
▸ EPHA2 P29317 3/20 0.56
▸ PCSK9 Q8NBP7 1/20 0.52
▸ PRLHR P49683 2/20 0.51
▸ KDM4A O75164 1/20 0.50
▸ EPS15 P42566 1/20 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
SCHEMBL27332332 0.94 KLKB1 (0.64) CD274KLKB1PDCD1EPHA2PCSK9
SCHEMBL23110202 0.94 KLKB1 (0.64) CD274KLKB1PDCD1EPHA2PCSK9
SCHEMBL23110146 0.92 KLKB1 (0.65) CD274KLKB1PDCD1EPHA2PCSK9
SCHEMBL23110262 0.92 KLKB1 (0.63) CD274KLKB1PDCD1EPHA2PCSK9
SCHEMBL23110257 0.92 KLKB1 (0.61) CD274KLKB1PDCD1EPHA2PCSK9
SCHEMBL23110029 0.89 CD274 (0.64) CD274KLKB1PDCD1EPHA2PCSK9
SCHEMBL23110128 0.88 CD274 (0.68) CD274KLKB1PDCD1EPHA2PCSK9
SCHEMBL23110031 0.88 CD274 (0.63) CD274KLKB1PDCD1EPHA2PCSK9
SCHEMBL23109970 0.87 CD274 (0.67) CD274KLKB1PDCD1EPHA2PCSK9
SCHEMBL23109971 0.87 CD274 (0.68) CD274KLKB1PDCD1EPHA2PCSK9

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-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 2215/4885KLKB1 522/4885PDCD1 2789/4885
US-11479581-B2 Non-chromatographic purification of macrocyclic peptides by a resin catch and release ANPEP, NPR1, DNPEP CD274 2199/4885KLKB1 536/4885PDCD1 2810/4885
US-12018097-B2 Non-chromatographic purification of macrocyclic peptides by a resin catch and release VIP, NPR1, NPPA CD274 2624/4885KLKB1 1656/4885PDCD1 3069/4885

“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.