SCHEMBL21454860

SCHEMBL21454860

CCC(C(=O)OC)C(C(=O)OC(C)(C)C)C(=O)c1cc2nc(OC)c(OC)nc2s1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 3/20 0.36
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL21437395 0.85 STING1 (0.54) STING1
SCHEMBL21454852 0.84 STING1 (0.33) STING1
SCHEMBL21454855 0.79 STING1 (0.35) STING1
SCHEMBL21454846 0.77 STING1 (0.50) STING1
SCHEMBL21436929 0.77 STING1 (0.44) STING1KDM4ENPC1ALDH1A1GLA
SCHEMBL30416042 0.77 ALDH1A1 (0.39) STING1KDM4ENPC1ALDH1A1RAB9A
SCHEMBL21405985 0.77 ALDH1A1 (0.39) STING1KDM4ENPC1ALDH1A1RAB9A
SCHEMBL21405800 0.75 STING1 (0.44) STING1KDM4EMEN1MAPTKMT2A
SCHEMBL30416428 0.75 STING1 (0.44) STING1KDM4EMEN1MAPTKMT2A
SCHEMBL21437056 0.74 STING1 (0.56) STING1KDM4ENPC1ALDH1A1GLA

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-11702430-B2 Aza-benzothiophene compounds as STING agonists MERCK SHARP & DOHME LLC (US) 2023-07-18 US disclosed
US-11702430-B2 Aza-benzothiophene compounds as STING agonists MERCK SHARP & DOHME LLC (US) 2023-07-18 US disclosed
US-20210009608-A1 AZA-BENZOTHIOPHENE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2021-01-14 US disclosed
WO-2019195063-A1 AZA-BENZOTHIOPHENE 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 (2 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-11702430-B2 Aza-benzothiophene compounds as STING agonists STING1, IRF3, CGAS STING1 1/4885KDM4E 760/4885NPC1 4280/4885
US-20210009608-A1 AZA-BENZOTHIOPHENE COMPOUNDS AS STING AGONISTS STING1, IRF3, CGAS STING1 1/4885KDM4E 760/4885NPC1 4280/4885

“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.