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SCHEMBL20013296

SCHEMBL20013296

CCCC[C@H]1C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)NCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)O)CSCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCCC[C@H]2C(=O)N[C@@H](CC(=O)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CN)C(=O)N[C@@H](CC(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCN)C(=O)N[C@@H](Cc2cn(CC(=O)O)c3ccccc23)C(=O)N1C

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 6/20 0.52
▸ PDCD1 Q15116 4/20 0.49
▸ F12 P00748 8/20 0.45
▸ CIB1 Q99828 2/20 0.44
▸ PRLHR P49683 1/20 0.43
▸ KLKB1 P03952 2/20 0.42
▸ LDLR P01130 1/20 0.42
▸ PCSK9 Q8NBP7 1/20 0.42
▸ KLK5 Q9Y337 1/20 0.42
▸ ST14 Q9Y5Y6 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
SCHEMBL19990970 1.00 CD274 (0.52) CD274PDCD1F12CIB1PRLHR
SCHEMBL20013178 0.99 CD274 (0.52) CD274PDCD1F12CIB1PRLHR
SCHEMBL20013455 0.99 CD274 (0.52) CD274PDCD1F12CIB1PRLHR
SCHEMBL19990711 0.99 CD274 (0.52) CD274PDCD1F12CIB1PRLHR
SCHEMBL19990801 0.99 CD274 (0.52) CD274PDCD1F12CIB1PRLHR
SCHEMBL20013314 0.98 CD274 (0.52) CD274PDCD1F12CIB1PRLHR
SCHEMBL20013357 0.98 CD274 (0.51) CD274PDCD1F12CIB1PRLHR
SCHEMBL19990833 0.98 CD274 (0.51) CD274PDCD1F12CIB1PRLHR
SCHEMBL20013289 0.98 CD274 (0.51) CD274PDCD1F12CIB1PRLHR
SCHEMBL22199475 0.96 CD274 (0.51) CD274PDCD1F12CIB1PRLHR

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-10633419-B2 Immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2020-04-28 — — US disclosed
US-20180086793-A1 IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-03-29 — — 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 (2 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-10633419-B2 Immunomodulators CD74, ICOS, HAVCR2 CD274 36/4885PDCD1 79/4885F12 4770/4885
US-20180086793-A1 IMMUNOMODULATORS CD74, ICOS, HAVCR2 CD274 36/4885PDCD1 79/4885F12 4770/4885

“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.