SCHEMBL22908893

SCHEMBL22908893

CCOC(=O)c1sc2cccc(C(F)(F)F)c2c1C=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
KDM4E B2RXH2 6/20 0.52
HPGD P15428 4/20 0.52
HSD17B10 Q99714 2/20 0.52
GLA P06280 1/20 0.52
GAA P10253 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 3/20 0.46
TP53 P04637 2/20 0.45
RXFP1 Q9HBX9 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MAPT P10636 6/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 3/20 0.41
THRB P10828 1/20 0.39

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
SCHEMBL29513118 1.00 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDHSD17B10GLA
SCHEMBL22908999 0.85 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10GLA
SCHEMBL29513046 0.85 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10GLA
SCHEMBL22908899 0.84 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDHSD17B10GLA
SCHEMBL22908898 0.81 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDHSD17B10GLA
SCHEMBL22905000 0.81 ALDH1A1 (0.69) ALDH1A1KDM4EHPGDHSD17B10GLA
SCHEMBL29513096 0.81 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDHSD17B10GLA
SCHEMBL22908998 0.81 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDHSD17B10GLA
SCHEMBL22909079 0.81 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHSD17B10GLA
SCHEMBL22909058 0.81 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHSD17B10GLA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3999185-B1 BENZOTHIOPHENE, THIENOPYRIDINE AND THIENOPYRIMIDINE DERIVATIVES FOR THE MODULATION OF STING CTXT PTY LTD (AU) 2023-08-30 EP disclosed
US-20220389032-A1 BENZOTHIOPHENE, THIENOPYRIDINE AND THIENOPYRIMIDINE DERIVATIVES FOR THE MODULATION OF STING CTXT PTY LTD. (AU) 2022-12-08 US disclosed
CN-114206882-A Benzothiophene, thienopyridine, and thienopyrimidine derivatives for modulation of STING CTXT私人有限公司 2022-03-18 CN disclosed
WO-2021009365-A1 BENZOTHIOPHENE, THIENOPYRIDINE AND THIENOPYRIMIDINE DERIVATIVES FOR THE MODULATION OF STING CTXT PTY LIMITED (AU) 2021-01-21 WO 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-20220389032-A1 BENZOTHIOPHENE, THIENOPYRIDINE AND THIENOPYRIMIDINE DERIVATIVES FOR THE MODULATION OF STING STING1, CGAS, MAVS ALDH1A1 3516/4885KDM4E 1256/4885HPGD 1628/4885

“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.