SCHEMBL18520324

SCHEMBL18520324

CCCCOCCOCCOCCC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ MEN1 O00255 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ DGKA P23743 1/20 0.37
▸ CES2 O00748 2/20 0.37
▸ RARB P10826 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CTSK P43235 1/20 0.35
▸ ATM Q13315 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ PLA2G4B P0C869 1/20 0.34

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
SCHEMBL25148521 1.00 TSHR (0.42) TSHRCYP3A4MEN1THRBHTT
SCHEMBL27775989 0.98 TSHR (0.43) TSHRCYP3A4MEN1THRBHTT
SCHEMBL20325479 0.96 TSHR (0.42) TSHRCYP3A4MEN1THRBHTT
SCHEMBL26740073 0.96 TSHR (0.42) TSHRCYP3A4MEN1THRBHTT
SCHEMBL21539314 0.95 MEN1 (0.46) TSHRCYP3A4MEN1THRBHTT
SCHEMBL21539433 0.93 MEN1 (0.48) MEN1THRBHTTKMT2AMAPT
SCHEMBL21759092 0.93 MEN1 (0.48) MEN1THRBHTTKMT2AMAPT
SCHEMBL21539334 0.93 MEN1 (0.48) MEN1THRBHTTKMT2AMAPT
SCHEMBL23469978 0.93 CES2 (0.44) TSHRMEN1THRBHTTKMT2A
SCHEMBL23964009 0.91 DGKA (0.46) TSHRMAPTDGKAALDH1A1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220033431-A1 Cyclic Di-Nucleotide Compounds as STING Agonists MERCK SHARP & DOHME CORP. (US) 2022-02-03 — — US disclosed
US-20220033435-A1 Cyclic Di-Nucleotide Compounds as STING Agonists MERCK SHARP & DOHME CORP. (US) 2022-02-03 — — US disclosed
US-10759825-B2 Cyclic di-nucleotide compounds as STING agonists MERCK SHARP & DOHME CORP. (US) 2020-09-01 — — US disclosed
US-10738074-B2 Cyclic di-nucleotide compounds as STING agonists MERCK SHARP & DOHME CORP. (US) 2020-08-11 — — US disclosed
US-20200113924-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2020-04-16 — — US disclosed
US-20190328762-A1 COMBINATIONS OF PD-1 ANTAGONISTS AND CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2019-10-31 — — US disclosed
WO-2017027646-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-02-16 — — WO disclosed
US-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-02-16 — — US disclosed
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2017-02-09 — — US disclosed
US-9301951-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-04-05 — — US disclosed
US-9289430-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-03-22 — — US disclosed
US-9289429-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-03-22 — — US disclosed
US-20150164876-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2015-06-18 — — US disclosed
US-20150164904-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2015-06-18 — — US disclosed
US-20150157637-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2015-06-11 — — US disclosed
US-8916569-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2014-12-23 — — US disclosed
US-8815910-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2014-08-26 — — US disclosed
US-8809339-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2014-08-19 — — US disclosed
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2014-01-23 — — 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 (12 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-20150164904-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A1 TSHR 4081/4885CYP3A4 498/4885MEN1 2609/4885
US-20150157637-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A1 TSHR 4081/4885CYP3A4 498/4885MEN1 2609/4885
US-20220033431-A1 Cyclic Di-Nucleotide Compounds as STING Agonists STING1, CGAS, IFNAR1 TSHR 2077/4885CYP3A4 3844/4885MEN1 1602/4885
US-20150164876-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 TSHR 3105/4885CYP3A4 582/4885MEN1 2404/4885
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 TSHR 3105/4885CYP3A4 582/4885MEN1 2404/4885
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 TSHR 4326/4885CYP3A4 1042/4885MEN1 3183/4885
US-20220033435-A1 Cyclic Di-Nucleotide Compounds as STING Agonists STING1, CGAS, IFNAR1 TSHR 2059/4885CYP3A4 3871/4885MEN1 1605/4885
US-20190328762-A1 COMBINATIONS OF PD-1 ANTAGONISTS AND CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT STING1, CGAS, MAVS TSHR 1555/4885CYP3A4 4758/4885MEN1 3338/4885
US-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 TSHR 2078/4885CYP3A4 3674/4885MEN1 1419/4885
US-10738074-B2 Cyclic di-nucleotide compounds as STING agonists STING1, CGAS, IFNAR1 TSHR 2130/4885CYP3A4 3707/4885MEN1 1836/4885
US-10759825-B2 Cyclic di-nucleotide compounds as STING agonists STING1, CGAS, IFNAR1 TSHR 2078/4885CYP3A4 3674/4885MEN1 1419/4885
US-20200113924-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT STING1, CGAS, MAVS TSHR 2830/4885CYP3A4 4859/4885MEN1 3475/4885

“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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