SCHEMBL21452655

SCHEMBL21452655

CC(C)C(=O)OC1CSSC[C@@H]1O

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.43
PPARG P37231 2/20 0.30

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
SCHEMBL20026408 1.00 STING1 (0.43) STING1PPARG
SCHEMBL21884176 1.00 STING1 (0.43) STING1PPARG
SCHEMBL8970110 0.85 STING1 (0.33) STING1PPARG
SCHEMBL14032017 0.82 STING1 (0.48) STING1
SCHEMBL22291689 0.82 STING1 (0.48) STING1
SCHEMBL26502255 0.81 STING1 (0.33) STING1PPARG
SCHEMBL21347702 0.80 STING1 (0.41) STING1
SCHEMBL2761304 0.78 KMT2A (0.39) STING1
SCHEMBL2761303 0.78 KMT2A (0.39) STING1
SCHEMBL20022170 0.77 STING1 (0.32) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10730849-B2 Benzo[b]thiophene compounds as STING agonists MERCK SHARP & DOHME CORP. (US) 2020-08-04 US disclosed
US-10703738-B2 Benzo[b]thiophene compounds as STING agonists MERCK SHARP & DOHME CORP. (US) 2020-07-07 US disclosed
US-20190337917-A1 BENZO[b]THIOPHENE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2019-11-07 US disclosed
WO-2019195124-A1 BENZOTHIOPHENES AND RELATED COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2019-10-10 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 (3 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-10730849-B2 Benzo[b]thiophene compounds as STING agonists STING1, IRF3, CGAS STING1 1/4885PPARG 1338/4885
US-20190337917-A1 BENZO[b]THIOPHENE COMPOUNDS AS STING AGONISTS STING1, IRF3, CGAS STING1 1/4885PPARG 1338/4885
US-10703738-B2 Benzo[b]thiophene compounds as STING agonists STING1, IRF3, CGAS STING1 1/4885PPARG 1338/4885

“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.