Sugi Predict

Sugi Predict / Compounds / SCHEMBL30697679

SCHEMBL30697679

SCHEMBL30697679

COc1cccc2sc(C(=O)OCOC(=O)C(C)(C)C)c(COc3c(F)cc(C(N)=O)cc3F)c12

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 16/20 0.72
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL23635898 1.00 STING1 (0.72) STING1KDM4EALDH1A1GLAGAA
SCHEMBL23635929 0.89 STING1 (0.70) STING1KDM4EALDH1A1GLAGAA
SCHEMBL23630826 0.89 STING1 (0.72) STING1KDM4EALDH1A1GLAGAA
SCHEMBL23112028 0.88 STING1 (0.79) STING1KDM4EALDH1A1GLAGAA
SCHEMBL30697662 0.86 STING1 (0.72) STING1KDM4EALDH1A1GLAGAA
SCHEMBL23635834 0.86 STING1 (0.72) STING1KDM4EALDH1A1GLAGAA
SCHEMBL23630804 0.84 STING1 (1.00) STING1
SCHEMBL23635879 0.82 STING1 (0.82) STING1KDM4EALDH1A1GLAGAA
SCHEMBL23630774 0.80 STING1 (0.69) STING1KDM4E
SCHEMBL23630801 0.80 STING1 (0.69) STING1

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
EP-3793988-B1 SUBSTITUTED CONDENSED THIOPHENES AS MODULATORS OF STING CTXT PTY LTD (AU) 2023-11-15 — — EP disclosed