Sugi Predict

Sugi Predict / Compounds / SCHEMBL29326814

SCHEMBL29326814

SCHEMBL29326814

CSCC[C@@H]1NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(C)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3cccc4ccccc34)C(=O)N[C@H](CC(=O)O)C(=O)N2)C(=O)CCSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H]2CCCN2C(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCNC(=N)N)NC1=O

nearest known ligand 0.96

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NECTIN4 Q96NY8 18/20 0.96
▸ TNFRSF9 Q07011 2/20 0.71

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
SCHEMBL25686998 0.88 NECTIN4 (0.82) NECTIN4TNFRSF9
SCHEMBL25686840 0.84 NECTIN4 (0.75) NECTIN4
SCHEMBL25687713 0.84 NECTIN4 (0.75) NECTIN4
SCHEMBL23381017 0.70 KLKB1 (0.65) —
SCHEMBL23381034 0.69 KLKB1 (0.69) —
SCHEMBL21664068 0.69 TSLP (0.56) NECTIN4
SCHEMBL23381356 0.69 KLKB1 (0.66) —
SCHEMBL20011746 0.69 KLKB1 (0.79) —
Eptifibatide SCHEMBL1890434 0.68 ITGB3 (0.80) NECTIN4
SCHEMBL23381267 0.68 KLKB1 (0.68) —

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-20240240255-A1 BICYCLE CONJUGATES SPECIFIC FOR NECTIN-4 AND USES THEREOF BICYCLETX LIMITED (GB) 2024-07-18 — — 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-20240240255-A1 BICYCLE CONJUGATES SPECIFIC FOR NECTIN-4 AND USES THEREOF NECTIN4, CD274, SIGLEC7 NECTIN4 1/4885TNFRSF9 52/4885

“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.