Sugi Predict

Sugi Predict / Compounds / SCHEMBL23958358

SCHEMBL23958358

SCHEMBL23958358

Cc1[nH]nc(C(F)(F)F)c1Cc1sc2c(c1C(=O)N1CC(C)CO1)c(=O)n(C)c(=O)n2C(C)C

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SLC16A1 P53985 18/20 0.57
▸ CYP2C9 P11712 10/20 0.57
▸ CYP3A4 P08684 8/20 0.57
▸ SLC16A3 O15427 1/20 0.57

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
Azd3965 SCHEMBL2875156 0.85 SLC16A1 (0.48) SLC16A1CYP2C9CYP3A4SLC16A3
Azd3965 SCHEMBL5093552 0.85 SLC16A1 (0.48) SLC16A1CYP2C9CYP3A4SLC16A3
SCHEMBL5099894 0.84 SLC16A1 (0.49) SLC16A1CYP2C9CYP3A4SLC16A3
SCHEMBL3827907 0.83 SLC16A1 (0.80) SLC16A1CYP2C9CYP3A4SLC16A3
SCHEMBL3827911 0.83 SLC16A1 (0.80) SLC16A1CYP2C9CYP3A4SLC16A3
SCHEMBL3827006 0.82 SLC16A1 (0.83) SLC16A1CYP2C9CYP3A4SLC16A3
SCHEMBL26200805 0.80 SLC16A1 (0.85) SLC16A1CYP2C9CYP3A4SLC16A3
SCHEMBL3871847 0.76 SLC16A1 (0.84) SLC16A1CYP2C9CYP3A4SLC16A3
SCHEMBL3871850 0.76 SLC16A1 (0.84) SLC16A1CYP2C9CYP3A4SLC16A3
SCHEMBL14077694 0.75 SLC16A1 (0.57) SLC16A1CYP2C9CYP3A4SLC16A3

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
WO-2021217111-A1 PH RESPONSIVE BLOCK COPOLYMER COMPOSITIONS AND MICELLES THAT INHIBIT MCT 1 AND RELATED PROTEINS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-10-28 — — WO disclosed