Sugi Predict

Sugi Predict / Compounds / SCHEMBL28533261

SCHEMBL28533261

SCHEMBL28533261

CCS(=O)(=O)c1ccc(CNC(=O)c2ccc(C(=O)C=O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 11/20 0.59
▸ CA2 P00918 4/20 0.57
▸ CA1 P00915 3/20 0.57
▸ EPHX2 P34913 3/20 0.56
▸ NR1H4 Q96RI1 2/20 0.56
▸ ALDH1A1 P00352 1/20 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
SCHEMBL28268476 0.86 EPHX2 (0.65) RORCCA2CA1EPHX2NR1H4
SCHEMBL28266759 0.86 RORC (0.61) RORCCA2CA1EPHX2NR1H4
SCHEMBL28353018 0.85 RORC (0.66) RORCCA2CA1EPHX2NR1H4
SCHEMBL28909371 0.85 RORC (0.62) RORCCA2CA1EPHX2NR1H4
SCHEMBL23632544 0.83 RORC (0.61) RORCCA2CA1EPHX2NR1H4
SCHEMBL28349854 0.83 CA2 (0.64) RORCCA2CA1EPHX2NR1H4
SCHEMBL23632292 0.83 CA1 (0.72) RORCCA2CA1EPHX2NR1H4
SCHEMBL29488705 0.83 RORC (0.71) RORCCA2CA1ALDH1A1
SCHEMBL28266785 0.82 RORC (0.60) RORCCA2CA1EPHX2NR1H4
SCHEMBL28266766 0.82 RORC (0.57) RORCCA2CA1EPHX2NR1H4

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-112513021-B ROR gamma antagonist and application thereof in medicines 广东东阳光药业有限公司 2023-06-27 — — CN disclosed
CN-112513021-A ROR gamma antagonist and application thereof in medicine 广东东阳光药业有限公司 2021-03-16 — — CN disclosed