Sugi Predict

Sugi Predict / Compounds / SCHEMBL17236232

SCHEMBL17236232

SCHEMBL17236232

CCC(C)[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H]1CCCC[C@@H](C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)NC(=O)C(CO)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](CO)NC(=O)[C@@H](CCCNC(=N)N)NC1=O)C(C)C

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BECN1 Q14457 13/20 0.70
▸ KEAP1 Q14145 2/20 0.56
▸ NPY1R P25929 2/20 0.56
▸ NPY2R P49146 2/20 0.56
▸ NPY4R P50391 2/20 0.56
▸ NPY5R Q15761 2/20 0.56
▸ INSR P06213 1/20 0.56
▸ ALB P02768 1/20 0.56
▸ KCNMA1 Q12791 1/20 0.55
▸ KCNMB4 Q86W47 1/20 0.55

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
SCHEMBL14654850 0.97 BECN1 (0.67) BECN1KEAP1NPY1RNPY2RNPY4R
SCHEMBL17236230 0.96 BECN1 (0.66) BECN1KEAP1NPY1RNPY2RNPY4R
SCHEMBL8991433 0.95 BECN1 (0.63) BECN1KEAP1NPY1RNPY2RNPY4R
SCHEMBL29352842 0.95 BECN1 (0.63) BECN1INSRALBKCNMA1KCNMB4
SCHEMBL8991534 0.91 BECN1 (0.59) BECN1KEAP1INSRALBKCNMA1
SCHEMBL29470903 0.76 TFPI (0.64) —
SCHEMBL31437676 0.75 NPY4R (0.60) NPY1RNPY2RNPY4RNPY5R
Iseganan SCHEMBL29378977 0.73 CTSG (0.56) BECN1ALBKCNMA1KCNMB4
SCHEMBL23351287 0.73 NPY1R (0.53) BECN1KEAP1NPY1RNPY2RNPY4R
SCHEMBL30502995 0.73 NPY4R (0.60) NPY1RNPY2RNPY4RNPY5R

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-20150315243-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS SYNGENE LTD (AU) 2015-11-05 — — 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-20150315243-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS DCLRE1A, RNF168, MTCL3 BECN1 1272/4885KEAP1 891/4885NPY1R 4749/4885

“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.