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SCHEMBL20013154

SCHEMBL20013154

CCCC[C@H]1C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C/C(=C/NCCCCCNC(=O)CCC(=O)Oc2c(C)c(C)c3c(c2C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O3)N=N)C(=O)O)CSCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N2CCCC2C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CCCCN)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2cn(CC(=O)O)c3ccccc23)C(=O)N1C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 8/20 0.43
▸ PDCD1 Q15116 6/20 0.41
▸ NECTIN4 Q96NY8 2/20 0.41
▸ EPHA2 P29317 2/20 0.39
▸ TNFRSF9 Q07011 3/20 0.39
▸ CIB1 Q99828 2/20 0.38
▸ ACE P12821 2/20 0.37
▸ ACE2 Q9BYF1 2/20 0.37
▸ KLKB1 P03952 1/20 0.36

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
SCHEMBL21908407 0.98 CD274 (0.43) CD274PDCD1NECTIN4EPHA2TNFRSF9
SCHEMBL21908604 0.95 CD274 (0.42) CD274PDCD1NECTIN4EPHA2TNFRSF9
SCHEMBL20013160 0.95 CD274 (0.42) CD274PDCD1NECTIN4EPHA2TNFRSF9
SCHEMBL22199497 0.94 CD274 (0.45) CD274PDCD1NECTIN4EPHA2TNFRSF9
SCHEMBL22199764 0.93 CD274 (0.44) CD274PDCD1NECTIN4EPHA2TNFRSF9
SCHEMBL20013175 0.89 CD274 (0.45) CD274PDCD1NECTIN4EPHA2TNFRSF9
SCHEMBL22199763 0.89 CD274 (0.47) CD274PDCD1NECTIN4EPHA2TNFRSF9
SCHEMBL22199653 0.88 CD274 (0.47) CD274PDCD1NECTIN4EPHA2TNFRSF9
SCHEMBL22199641 0.86 CD274 (0.52) CD274PDCD1NECTIN4EPHA2TNFRSF9
SCHEMBL20013164 0.85 CD274 (0.47) CD274PDCD1NECTIN4EPHA2TNFRSF9

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-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 (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-20180086793-A1 IMMUNOMODULATORS CD74, ICOS, HAVCR2 CD274 36/4885PDCD1 79/4885NECTIN4 266/4885

“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.