Sugi Predict

Sugi Predict / Compounds / SCHEMBL17854754

SCHEMBL17854754

SCHEMBL17854754

CCCC[C@H]1C(=O)N(C)[C@@H](CCCC)C(=O)NC2(Cc3ccccc3C2)C(=O)N[C@H](C(=O)NCC(N)=O)CSCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(N)=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](Cc2c[nH]c3ccccc23)C(=O)N1C

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 9/20 0.64
▸ PDCD1 Q15116 7/20 0.61
▸ CIB1 Q99828 5/20 0.53
▸ KLKB1 P03952 3/20 0.45
▸ NECTIN4 Q96NY8 1/20 0.43
▸ PCSK9 Q8NBP7 1/20 0.43
▸ ROR1 Q01973 1/20 0.43

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
SCHEMBL20053744 1.00 CD274 (0.64) CD274PDCD1CIB1KLKB1NECTIN4
SCHEMBL20052329 0.98 CD274 (0.64) CD274PDCD1CIB1KLKB1NECTIN4
SCHEMBL20053656 0.97 CD274 (0.67) CD274PDCD1CIB1KLKB1PCSK9
SCHEMBL20052354 0.97 CD274 (0.67) CD274PDCD1CIB1KLKB1ROR1
SCHEMBL17854756 0.97 CD274 (0.67) CD274PDCD1CIB1KLKB1ROR1
SCHEMBL17854747 0.97 CD274 (0.65) CD274PDCD1CIB1KLKB1NECTIN4
SCHEMBL17854753 0.96 CD274 (0.65) CD274PDCD1CIB1KLKB1NECTIN4
SCHEMBL20053679 0.96 CD274 (0.64) CD274PDCD1CIB1KLKB1NECTIN4
SCHEMBL17854750 0.95 CD274 (0.65) CD274PDCD1CIB1KLKB1PCSK9
SCHEMBL20053639 0.95 CD274 (0.65) CD274PDCD1CIB1KLKB1PCSK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9944678-B2 Immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2018-04-17 — — US disclosed
US-9944678-B2 Immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2018-04-17 — — US disclosed
US-20160176928-A1 Immunomodulators BRISTOL-MYERS SQUIBB COMPANY 2016-06-23 — — US disclosed
US-20160176928-A1 Immunomodulators BRISTOL-MYERS SQUIBB COMPANY 2016-06-23 — — 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-20160176928-A1 Immunomodulators CD274, PDCD1, PDCD1LG2 CD274 1/4885PDCD1 2/4885CIB1 1455/4885

“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.