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Sugi Predict / Compounds / SCHEMBL30856547

SCHEMBL30856547

SCHEMBL30856547

COc1cc(C(=O)NC[C@H](NS(=O)(=O)c2ccccc2)C(=O)O)ccc1N1CCC(NC2=NCCCN2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 20/20 1.00
▸ ITGA2B P08514 19/20 1.00
▸ ITGAV P06756 16/20 1.00
▸ ITGB1 P05556 1/20 0.47
▸ ITGB5 P18084 1/20 0.47

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
SCHEMBL382431 1.00 ITGB3 (1.00) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL382528 0.95 ITGB3 (0.91) ITGB3ITGA2BITGAV
SCHEMBL382328 0.90 ITGB3 (1.00) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL381995 0.90 ITGB3 (1.00) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL382753 0.90 ITGB3 (1.00) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL30856557 0.90 ITGB3 (1.00) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL6499233 0.88 ITGB3 (0.89) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL381992 0.87 ITGB3 (0.86) ITGB3ITGA2BITGAV
SCHEMBL382927 0.86 ITGB3 (0.76) ITGB3ITGA2BITGAV
SCHEMBL382772 0.86 ITGB3 (1.00) ITGB3ITGA2BITGAV

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
CN-119630399-A Periostin-mediated disease and prophylactic or therapeutic agent for itching associated with the disease 国立大学法人佐贺大学 2025-03-14 — — CN disclosed
WO-2024024915-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR PERIOSTIN-MEDIATED DISEASE AND PRURITUS ASSOCIATED THEREWITH 国立大学法人佐賀大学 2024-02-01 — — WO disclosed