SCHEMBL20022338

SCHEMBL20022338

COc1cc(F)cc([N+](=O)[O-])c1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.66
EGFR P00533 1/20 0.54
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
JUN P05412 1/20 0.49
GAA P10253 2/20 0.48
RAB9A P51151 1/20 0.48
GFER P55789 1/20 0.48
KMT2A Q03164 3/20 0.47
ABCB1 P08183 1/20 0.47
ABCC1 P33527 1/20 0.47
GPR35 Q9HC97 1/20 0.47
ERN1 O75460 1/20 0.46
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
MCL1 Q07820 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL23751958 0.82 TTR (0.61) TTREGFRMAPTSMN1; SMN2POLB
SCHEMBL3286500 0.81 GPR35 (0.61) TTRMAPTTDP1KMT2AGPR35
SCHEMBL8580120 0.81 ERN1 (0.64) TTREGFRMAPTSMN1; SMN2POLB
SCHEMBL11070819 0.81 GPR35 (0.69) TTREGFRMAPTSMN1; SMN2POLB
SCHEMBL25863237 0.81 ALDH1A1 (0.46) TTRMAPTTDP1RAB9AKMT2A
SCHEMBL31337894 0.80 TTR (1.00) TTREGFRMAPTSMN1; SMN2POLB
SCHEMBL6010819 0.79 EGFR (0.54) TTREGFRMAPTSMN1; SMN2POLB
SCHEMBL2086467 0.79 ERN1 (0.54) TTREGFRMAPTSMN1; SMN2POLB
SCHEMBL27464379 0.79 TTR (0.45) TTRMAPTTDP1RAB9AKMT2A
SCHEMBL28316926 0.79 EGFR (0.54) TTREGFRMAPTSMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110036001-B Benzo [ b ] thiophene compounds as STING agonists 默沙东公司 2022-03-22 CN disclosed
US-10730849-B2 Benzo[b]thiophene compounds as STING agonists MERCK SHARP & DOHME CORP. (US) 2020-08-04 US disclosed
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-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
US-20190337917-A1 BENZO[b]THIOPHENE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2019-11-07 US disclosed
US-20190337918-A1 BENZO[b]THIOPHENE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2019-11-07 US disclosed
US-10414747-B2 Benzo[b]thiophene compounds as sting agonists MERCK SHARP & DOHME CORP. (US) 2019-09-17 US disclosed
US-10414747-B2 Benzo[b]thiophene compounds as sting agonists MERCK SHARP & DOHME CORP. (US) 2019-09-17 US disclosed
EP-3523287-A1 BENZO[b]THIOPHENE COMPOUNDS AS STING AGONISTS Merck Sharp & Dohme Corp. (US) 2019-08-14 EP disclosed
WO-2018067423-A1 BENZO[b]THIOPHENE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2018-04-12 WO disclosed
US-20180093964-A1 BENZO[b]THIOPHENE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2018-04-05 US disclosed
US-20180093964-A1 BENZO[b]THIOPHENE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2018-04-05 US disclosed
US-20180093964-A1 BENZO[b]THIOPHENE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2018-04-05 US 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 (6 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-20190337918-A1 BENZO[b]THIOPHENE COMPOUNDS AS STING AGONISTS STING1, IRF3, CGAS TTR 4766/4885EGFR 1627/4885MAPT 4815/4885
US-10730849-B2 Benzo[b]thiophene compounds as STING agonists STING1, IRF3, CGAS TTR 4766/4885EGFR 1627/4885MAPT 4815/4885
US-20180093964-A1 BENZO[b]THIOPHENE COMPOUNDS AS STING AGONISTS STING1, IRF3, CGAS TTR 4766/4885EGFR 1627/4885MAPT 4815/4885
US-10414747-B2 Benzo[b]thiophene compounds as sting agonists STING1, IRF3, CGAS TTR 4766/4885EGFR 1627/4885MAPT 4815/4885
US-20190337917-A1 BENZO[b]THIOPHENE COMPOUNDS AS STING AGONISTS STING1, IRF3, CGAS TTR 4766/4885EGFR 1627/4885MAPT 4815/4885
US-10703738-B2 Benzo[b]thiophene compounds as STING agonists STING1, IRF3, CGAS TTR 4766/4885EGFR 1627/4885MAPT 4815/4885

“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.