Sugi Predict

Sugi Predict / Compounds / SCHEMBL23110202

SCHEMBL23110202

SCHEMBL23110202

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)[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)[C@H](CCC(=O)O)NC1=O

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 8/20 0.64
▸ CD274 Q9NZQ7 3/20 0.60
▸ PDCD1 Q15116 2/20 0.59
▸ PCSK9 Q8NBP7 1/20 0.57
▸ EPHA2 P29317 1/20 0.57
▸ CIB1 Q99828 2/20 0.53
▸ TET2 Q6N021 1/20 0.53
▸ TET1 Q8NFU7 1/20 0.53
▸ ACE P12821 1/20 0.52
▸ ACE2 Q9BYF1 1/20 0.52
▸ EPS15 P42566 1/20 0.52

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 1.00 KLKB1 (0.64) KLKB1CD274PDCD1PCSK9EPHA2
SCHEMBL23110262 0.98 KLKB1 (0.63) KLKB1CD274PDCD1PCSK9EPHA2
SCHEMBL23110146 0.98 KLKB1 (0.65) KLKB1CD274PDCD1PCSK9EPHA2
SCHEMBL23110257 0.98 KLKB1 (0.61) KLKB1CD274PDCD1PCSK9EPHA2
SCHEMBL23110201 0.94 CD274 (0.62) KLKB1CD274PDCD1PCSK9EPHA2
SCHEMBL23110261 0.94 CD274 (0.62) KLKB1CD274PDCD1PCSK9EPHA2
SCHEMBL23109953 0.88 CD274 (0.54) KLKB1CD274PDCD1CIB1
SCHEMBL23110029 0.87 CD274 (0.64) KLKB1CD274PDCD1PCSK9EPHA2
SCHEMBL23110128 0.87 CD274 (0.68) KLKB1CD274PDCD1PCSK9EPHA2
SCHEMBL23110031 0.86 CD274 (0.63) KLKB1CD274PDCD1PCSK9EPHA2

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