SCHEMBL20022344

SCHEMBL20022344

COc1cc(F)cc(N)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 3/20 0.41
▸ STAT3 P40763 2/20 0.41
▸ NFE2L2 Q16236 2/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ ABL1 P00519 1/20 0.40
▸ BCR P11274 1/20 0.40
▸ PTGS2 P35354 3/20 0.39
▸ PKM P14618 2/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA3 P07451 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA6 P23280 1/20 0.39
▸ CA5A P35218 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA14 Q9ULX7 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
SCHEMBL1042344 0.78 ALOX5 (0.51) ALOX5STAT3NFE2L2NFKB1NFKB2
SCHEMBL21729821 0.78 PTGS2 (0.57) ALOX5ABL1BCRPTGS2PKM
SCHEMBL16052950 0.78 MAPT (0.42) NFE2L2PKMLMNAPTGS1CYP3A4
SCHEMBL29913371 0.77 ABL1 (0.55) ALOX5ABL1BCRPTGS2PKM
SCHEMBL19225422 0.77 ALDH1A1 (0.56) ALOX5ABL1BCRPTGS2PKM
SCHEMBL14390273 0.77 ABL1 (0.55) ALOX5ABL1BCRPTGS2PKM
SCHEMBL27408256 0.75 EP300 (0.47) CA1CA2LMNACYP3A4GAA
SCHEMBL10209876 0.75 ALOX5 (0.64) ALOX5PTGS2PKMCA12CA1
SCHEMBL12800877 0.75 ERN1 (0.55) ALOX5ABL1BCRPTGS2GAA
SCHEMBL17744292 0.75 ERN1 (0.55) ALOX5ABL1BCRPTGS2PKM

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-20190337918-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-20190337917-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 ALOX5 2597/4885STAT3 672/4885NFE2L2 1032/4885
US-10730849-B2 Benzo[b]thiophene compounds as STING agonists STING1, IRF3, CGAS ALOX5 2597/4885STAT3 672/4885NFE2L2 1032/4885
US-20180093964-A1 BENZO[b]THIOPHENE COMPOUNDS AS STING AGONISTS STING1, IRF3, CGAS ALOX5 2597/4885STAT3 672/4885NFE2L2 1032/4885
US-10414747-B2 Benzo[b]thiophene compounds as sting agonists STING1, IRF3, CGAS ALOX5 2597/4885STAT3 672/4885NFE2L2 1032/4885
US-20190337917-A1 BENZO[b]THIOPHENE COMPOUNDS AS STING AGONISTS STING1, IRF3, CGAS ALOX5 2597/4885STAT3 672/4885NFE2L2 1032/4885
US-10703738-B2 Benzo[b]thiophene compounds as STING agonists STING1, IRF3, CGAS ALOX5 2597/4885STAT3 672/4885NFE2L2 1032/4885

“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.

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