Sugi Predict

Sugi Predict / Compounds / SCHEMBL25943565

SCHEMBL25943565

SCHEMBL25943565

CC(C)C[C@H]1CN[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)NCC(N)=O)CSCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 3/20 0.65
▸ KLKB1 P03952 7/20 0.63
▸ PDCD1 Q15116 2/20 0.58
▸ PCSK9 Q8NBP7 1/20 0.57
▸ EPHA2 P29317 1/20 0.57
▸ PLAU P00749 1/20 0.55
▸ ROR1 Q01973 1/20 0.53
▸ CIB1 Q99828 2/20 0.53
▸ CTSG P08311 1/20 0.53
▸ TSLP Q969D9 2/20 0.52

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
SCHEMBL25943583 0.96 KLKB1 (0.62) CD274KLKB1PDCD1PCSK9EPHA2
SCHEMBL23960378 0.96 CD274 (0.70) CD274KLKB1PDCD1PCSK9EPHA2
SCHEMBL25944356 0.93 PCSK9 (0.57) CD274KLKB1PDCD1PCSK9EPHA2
SCHEMBL23960488 0.90 CD274 (0.65) CD274KLKB1PDCD1PCSK9EPHA2
SCHEMBL25944120 0.90 PCSK9 (0.57) CD274KLKB1PCSK9EPHA2TSLP
SCHEMBL25942530 0.89 PCSK9 (0.61) CD274KLKB1PCSK9EPHA2ROR1
SCHEMBL25941528 0.85 PCSK9 (0.62) CD274KLKB1PCSK9EPHA2TSLP
SCHEMBL25943437 0.85 CD274 (0.57) CD274KLKB1PDCD1PCSK9EPHA2
SCHEMBL23960487 0.85 CD274 (0.57) CD274KLKB1PDCD1PCSK9EPHA2
SCHEMBL23110029 0.83 CD274 (0.64) CD274KLKB1PDCD1PCSK9EPHA2

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-20230242586-A1 RAS INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-08-03 — — 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-20230242586-A1 RAS INHIBITORS AND USES THEREOF KRAS, NRAS, HRAS CD274 3925/4885KLKB1 2850/4885PDCD1 2501/4885

“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.