SCHEMBL20022271

SCHEMBL20022271

CCc1cc(F)c(C=O)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
KDM4E B2RXH2 2/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TAAR1 Q96RJ0 2/20 0.49
PRKDC P78527 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ERN1 O75460 6/20 0.40
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL668963 0.83 ALDH1A1 (0.67) ALDH1A1KDM4ETSHRTDP1TAAR1
SCHEMBL71268 0.83 ALDH1A1 (0.65) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL29636410 0.83 ALDH1A1 (0.65) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL2915368 0.81 ALDH1A1 (0.57) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL9886097 0.81 TAAR1 (0.59) ALDH1A1KDM4ETSHRTAAR1HPGD
SCHEMBL7724901 0.80 ALDH1A1 (0.57) ALDH1A1KDM4ETSHRTDP1TAAR1
SCHEMBL2432873 0.80 ALDH1A1 (0.47) ALDH1A1KDM4ETSHRTDP1TAAR1
SCHEMBL4071797 0.79 ALDH1A1 (0.67) ALDH1A1KDM4ETSHRTDP1TAAR1
SCHEMBL1620757 0.79 LMNA (0.56) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL7720458 0.79 TAAR1 (0.62) TAAR1CYP3A4

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 14 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-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 ALDH1A1 4174/4885KDM4E 2935/4885TSHR 584/4885
US-10730849-B2 Benzo[b]thiophene compounds as STING agonists STING1, IRF3, CGAS ALDH1A1 4174/4885KDM4E 2935/4885TSHR 584/4885
US-20180093964-A1 BENZO[b]THIOPHENE COMPOUNDS AS STING AGONISTS STING1, IRF3, CGAS ALDH1A1 4174/4885KDM4E 2935/4885TSHR 584/4885
US-10414747-B2 Benzo[b]thiophene compounds as sting agonists STING1, IRF3, CGAS ALDH1A1 4174/4885KDM4E 2935/4885TSHR 584/4885
US-20190337917-A1 BENZO[b]THIOPHENE COMPOUNDS AS STING AGONISTS STING1, IRF3, CGAS ALDH1A1 4174/4885KDM4E 2935/4885TSHR 584/4885
US-10703738-B2 Benzo[b]thiophene compounds as STING agonists STING1, IRF3, CGAS ALDH1A1 4174/4885KDM4E 2935/4885TSHR 584/4885

“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.