SCHEMBL27288480

SCHEMBL27288480

CCCCCCN1CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCCC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)NCCCCCCCCCCC(=O)O)CSCC(=O)N[C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(=O)O)C1=O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 10/20 0.57
KRAS P01116 6/20 0.55
ALB P02768 1/20 0.52
F11 P03951 2/20 0.52
F10 P00742 1/20 0.52
KLK1 P06870 1/20 0.52
KLK2 P20151 1/20 0.52
KLK14 Q9P0G3 1/20 0.52
KLK13 Q9UKR3 1/20 0.52
KLK5 Q9Y337 1/20 0.52
ST14 Q9Y5Y6 1/20 0.52
PLAU P00749 1/20 0.51
CD274 Q9NZQ7 1/20 0.51

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
SCHEMBL27286988 0.98 KLKB1 (0.58) KLKB1KRASALBF11F10
SCHEMBL27287192 0.91 KRAS (0.58) KLKB1KRASCD274
SCHEMBL27286874 0.91 KRAS (0.58) KLKB1KRASCD274
SCHEMBL27288453 0.87 KLKB1 (0.49) KLKB1KRASALBF11F10
SCHEMBL27286891 0.78 TEAD4 (0.48) KLKB1KRASCD274
SCHEMBL18257587 0.78 KLKB1 (0.65) KLKB1KRASPLAUCD274
SCHEMBL26951832 0.76 KRAS (0.55) KLKB1KRASPLAUCD274
SCHEMBL23743618 0.75 KLKB1 (0.59) KLKB1KRASPLAUCD274
SCHEMBL22199698 0.75 CD274 (0.63) KLKB1CD274
SCHEMBL24218598 0.75 KLKB1 (0.59) KLKB1KRASPLAUCD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240218022-A1 ANTI-VISTA MACROCYCLIC PEPTIDES AND COMPOSITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-04 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-20240218022-A1 ANTI-VISTA MACROCYCLIC PEPTIDES AND COMPOSITIONS VIP, SGTA, NGLY1 KLKB1 564/4885KRAS 2827/4885ALB 1034/4885

“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.