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SCHEMBL20013330

SCHEMBL20013330

C#CC[C@H](NC(=O)CNC(=O)[C@@H]1CSCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N2CCC[C@H]2C(=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)N(C)[C@@H](CCCC)C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)C(=O)NCC(N)=O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 8/20 0.56
▸ PDCD1 Q15116 6/20 0.52
▸ CIB1 Q99828 2/20 0.45
▸ EPHA2 P29317 2/20 0.44
▸ KLKB1 P03952 1/20 0.44
▸ ACE P12821 2/20 0.43
▸ ACE2 Q9BYF1 2/20 0.43
▸ NECTIN4 Q96NY8 1/20 0.42
▸ LDLR P01130 3/20 0.42
▸ PCSK9 Q8NBP7 3/20 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
SCHEMBL20013459 0.97 CD274 (0.55) CD274PDCD1CIB1EPHA2ACE
SCHEMBL20013133 0.96 CD274 (0.59) CD274PDCD1CIB1EPHA2KLKB1
SCHEMBL20013319 0.96 CD274 (0.53) CD274PDCD1CIB1EPHA2ACE
SCHEMBL20013174 0.94 CD274 (0.58) CD274PDCD1CIB1EPHA2ACE
SCHEMBL20013476 0.93 CD274 (0.56) CD274PDCD1CIB1EPHA2ACE
SCHEMBL20013481 0.93 CD274 (0.65) CD274PDCD1CIB1EPHA2KLKB1
SCHEMBL19345211 0.92 CD274 (0.60) CD274PDCD1CIB1EPHA2KLKB1
SCHEMBL19345159 0.92 CD274 (0.60) CD274PDCD1CIB1EPHA2KLKB1
SCHEMBL19345695 0.91 CD274 (0.56) CD274PDCD1CIB1EPHA2KLKB1
SCHEMBL17815058 0.91 CD274 (0.63) CD274PDCD1CIB1EPHA2KLKB1

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 79/4885CIB1 1031/4885
US-20180086793-A1 IMMUNOMODULATORS CD74, ICOS, HAVCR2 CD274 36/4885PDCD1 79/4885CIB1 1031/4885

“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.