Sugi Predict

Sugi Predict / Compounds / SCHEMBL21766489

SCHEMBL21766489

SCHEMBL21766489

CC(=O)N[C@@H](C(=O)N[C@H](Cc1c[nH]cn1)C(=O)N[C@H](CCCC(=O)O)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](CCCCNC(=O)c1ccc(C(=O)O)c(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c1)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@@H](C(=O)N[C@H](Cc1c[nH]cn1)C(=O)N[C@H](CCC(=O)O)C(N)=O)[C@H](C)O)[C@H](C)O

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 1/20 0.59
▸ HTRA2 O43464 8/20 0.50
▸ HTRA1 Q92743 8/20 0.50
▸ ALB P02768 2/20 0.46
▸ MDM2 Q00987 1/20 0.45
▸ FOLH1 Q04609 2/20 0.45
▸ TERF2IP Q9NYB0 2/20 0.44

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
SCHEMBL21766488 0.99 WDR5 (0.59) WDR5HTRA2HTRA1ALBMDM2
SCHEMBL21766753 0.99 WDR5 (0.59) WDR5HTRA2HTRA1ALBMDM2
SCHEMBL21766486 0.99 WDR5 (0.59) WDR5HTRA2HTRA1ALBMDM2
SCHEMBL20230259 0.99 WDR5 (0.59) WDR5HTRA2HTRA1ALBMDM2
SCHEMBL20230300 0.99 WDR5 (0.59) WDR5HTRA2HTRA1ALBMDM2
SCHEMBL26370162 0.98 WDR5 (0.58) WDR5HTRA2HTRA1ALBMDM2
SCHEMBL21766759 0.97 WDR5 (0.58) WDR5HTRA2HTRA1ALBMDM2
SCHEMBL20230289 0.96 WDR5 (0.55) WDR5HTRA2HTRA1ALBMDM2
SCHEMBL26369618 0.96 WDR5 (0.56) WDR5HTRA2HTRA1ALBMDM2
SCHEMBL21766510 0.96 WDR5 (0.56) WDR5HTRA2HTRA1ALBMDM2

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-10994017-B2 Nerve labeling compositions and uses thereof AVELAS BIOSCIENCES, INC. (US) 2021-05-04 — — US disclosed
US-20200061200-A1 NERVE LABELING COMPOSITIONS AND USES THEREOF AVELAS ACQUISITION CORPORATION 2020-02-27 — — 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-20200061200-A1 NERVE LABELING COMPOSITIONS AND USES THEREOF GAP43, NGF, PMP22 WDR5 1570/4885HTRA2 2525/4885HTRA1 4086/4885
US-10994017-B2 Nerve labeling compositions and uses thereof GAP43, NGF, PMP22 WDR5 1570/4885HTRA2 2525/4885HTRA1 4086/4885

“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.