Sugi Predict

Sugi Predict / Compounds / SCHEMBL22199734

SCHEMBL22199734

SCHEMBL22199734

CCCC[C@H]1C(=O)N2C[C@@H](O)C[C@@H]2C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(=O)O)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc2cn(CCCCCNC(=O)CCC(=O)Oc3c(C)c(C)c4c(c3C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O4)nn2)C(N)=O)CSCC(=O)N[C@@H](Cc2cc(F)c(F)c(F)c2)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N1C

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 8/20 0.47
▸ PDCD1 Q15116 6/20 0.47
▸ TNFRSF9 Q07011 3/20 0.42
▸ NECTIN4 Q96NY8 2/20 0.42
▸ EPHA2 P29317 1/20 0.41
▸ CIB1 Q99828 2/20 0.41
▸ PRLHR P49683 4/20 0.40

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
SCHEMBL20013692 0.92 CD274 (0.49) CD274PDCD1EPHA2CIB1PRLHR
SCHEMBL17751983 0.89 CD274 (0.44) CD274PDCD1EPHA2CIB1PRLHR
SCHEMBL20010286 0.89 CD274 (0.44) CD274PDCD1EPHA2CIB1PRLHR
SCHEMBL20013349 0.89 CD274 (0.49) CD274PDCD1EPHA2CIB1PRLHR
SCHEMBL22199641 0.88 CD274 (0.52) CD274PDCD1TNFRSF9NECTIN4EPHA2
SCHEMBL20013175 0.87 CD274 (0.45) CD274PDCD1TNFRSF9NECTIN4EPHA2
SCHEMBL22199763 0.87 CD274 (0.47) CD274PDCD1TNFRSF9NECTIN4EPHA2
SCHEMBL22199653 0.87 CD274 (0.47) CD274PDCD1TNFRSF9NECTIN4EPHA2
SCHEMBL22199764 0.87 CD274 (0.44) CD274PDCD1TNFRSF9NECTIN4EPHA2
SCHEMBL20009672 0.86 CD274 (0.52) CD274PDCD1TNFRSF9NECTIN4CIB1

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-20200216498-A1 IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-07-09 — — 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-20200216498-A1 IMMUNOMODULATORS CD74, ICOS, HAVCR2 CD274 36/4885PDCD1 79/4885TNFRSF9 67/4885

“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.