Sugi Predict

Sugi Predict / Compounds / SCHEMBL25941528

SCHEMBL25941528

SCHEMBL25941528

CC(C)C[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NBC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC1=O

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PCSK9 Q8NBP7 1/20 0.62
▸ KDM4A O75164 1/20 0.55
▸ CD274 Q9NZQ7 1/20 0.55
▸ KLKB1 P03952 5/20 0.55
▸ EPHA2 P29317 1/20 0.54
▸ TSLP Q969D9 7/20 0.54
▸ TFPI P10646 2/20 0.53

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
SCHEMBL25944120 0.95 PCSK9 (0.57) PCSK9KDM4ACD274KLKB1EPHA2
SCHEMBL25942530 0.91 PCSK9 (0.61) PCSK9KDM4ACD274KLKB1EPHA2
SCHEMBL23960378 0.89 CD274 (0.70) PCSK9CD274KLKB1EPHA2TSLP
SCHEMBL25944356 0.87 PCSK9 (0.57) PCSK9KDM4ACD274KLKB1EPHA2
SCHEMBL23960487 0.86 CD274 (0.57) PCSK9KDM4ACD274KLKB1EPHA2
SCHEMBL25943437 0.86 CD274 (0.57) PCSK9KDM4ACD274KLKB1EPHA2
SCHEMBL25943565 0.85 CD274 (0.65) PCSK9CD274KLKB1EPHA2TSLP
SCHEMBL23960488 0.84 CD274 (0.65) PCSK9KDM4ACD274KLKB1EPHA2
SCHEMBL16488478 0.83 ITGB3 (0.61) KLKB1TSLP
SCHEMBL8659758 0.82 KDM4A (0.65) KDM4ATSLP

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 PCSK9 1665/4885KDM4A 3295/4885CD274 3925/4885

“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.