SCHEMBL20022339

SCHEMBL20022339

COc1cc(F)cc2nc(C)oc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
ELANE P08246 1/20 0.40
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RPS6KA2 Q15349 2/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
IGF1R P08069 1/20 0.33
SRC P12931 1/20 0.33
AXL P30530 1/20 0.33
KDR P35968 1/20 0.33
PTK2 Q05397 1/20 0.33
ALK Q9UM73 1/20 0.33

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
SCHEMBL31430479 0.81 RPS6KA2 (0.48) ESR1ESR2KDM4EMAPTRPS6KA2
SCHEMBL3195952 0.78 GABRP (0.39) ELANEGAAMAPTRAB9AL3MBTL1
SCHEMBL21671636 0.78 ELANE (0.60) ELANEKDM4EMEN1GAAMAPT
SCHEMBL25370800 0.78 ESR1 (0.40) ESR1ESR2ELANEKDM4ERPS6KA2
SCHEMBL25374638 0.78 ESR1 (0.37) ESR1ESR2KDM4EGAATDP1
SCHEMBL1144545 0.74 CA12 (0.49) ESR1ESR2ELANETDP1PDGFRB
SCHEMBL13824868 0.73 ALDH1A1 (0.40) ESR1ESR2KDM4EMEN1MAPT
SCHEMBL25372225 0.72 ESR1 (0.36) ESR1ESR2KDM4EMAPTTHRB
SCHEMBL10200773 0.71 ELANE (0.61) ESR1ELANEKDM4EMAPTRECQL
SCHEMBL25369751 0.71 ESR1 (0.38) ESR1ESR2KDM4EMEN1GAA

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 7 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-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-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 (5 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 ESR1 885/4885ESR2 1042/4885ELANE 2835/4885
US-20180093964-A1 BENZO[b]THIOPHENE COMPOUNDS AS STING AGONISTS STING1, IRF3, CGAS ESR1 885/4885ESR2 1042/4885ELANE 2835/4885
US-10414747-B2 Benzo[b]thiophene compounds as sting agonists STING1, IRF3, CGAS ESR1 885/4885ESR2 1042/4885ELANE 2835/4885
US-20190337917-A1 BENZO[b]THIOPHENE COMPOUNDS AS STING AGONISTS STING1, IRF3, CGAS ESR1 885/4885ESR2 1042/4885ELANE 2835/4885
US-10703738-B2 Benzo[b]thiophene compounds as STING agonists STING1, IRF3, CGAS ESR1 885/4885ESR2 1042/4885ELANE 2835/4885

“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.