SCHEMBL17629530

SCHEMBL17629530

CC(C)COC(=O)C1=C(NCc2ccc(C(F)(F)F)cc2)CCOC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.38
▸ KCNQ2 O43526 3/20 0.37
▸ KCNQ3 O43525 2/20 0.37
▸ FFAR1 O14842 1/20 0.37
▸ ADRA2A P08913 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ CACNA1F O60840 1/20 0.35
▸ CACNA1D Q01668 1/20 0.35
▸ CACNA1S Q13698 1/20 0.35
▸ CACNA1C Q13936 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ KCNQ4 P56696 1/20 0.35
▸ KCNQ5 Q9NR82 1/20 0.35
▸ L3MBTL1 Q9Y468 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
SCHEMBL17629557 0.79 PTGER4 (0.44) PTGER4KCNQ2KCNQ3FFAR1EPHX2
SCHEMBL17633125 0.78 FFAR1 (0.42) KCNQ2KCNQ3FFAR1HDAC3HDAC1
SCHEMBL17629556 0.77 PPARG (0.35) PTGER4EPHX2PPARGCACNA1FCACNA1D
SCHEMBL17629541 0.74 KCNQ2 (0.48) ALDH1A1KCNQ2KCNQ3FFAR1EPHX2
SCHEMBL12988391 0.74 CASP3 (0.57) ALDH1A1GAA
SCHEMBL22631466 0.67 PTGER4 (0.62) PTGER4ALDH1A1GAAL3MBTL1
SCHEMBL12987152 0.67 KDM4E (0.41) ALDH1A1FFAR1GAAL3MBTL1ASPH
SCHEMBL22541467 0.66 CYP19A1 (0.47) ALDH1A1PPARGHDAC1GAAL3MBTL1
SCHEMBL18528163 0.66 MAPT (0.46) ALDH1A1GAAL3MBTL1
SCHEMBL17629577 0.65 MAPT (0.42) ALDH1A1KCNQ2KCNQ3EPHX2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197455-B1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME (US) 2020-12-30 — — EP disclosed
US-10000501-B2 Inhibitors of HIF prolyl hydroxylase MERCK SHARP & DOHME CORP. (US) 2018-06-19 — — US disclosed
US-20170240555-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2017-08-24 — — US disclosed
EP-3197455-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE Merck Sharp & Dohme Corp. (US) 2017-08-02 — — EP disclosed
WO-2016049097-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2016-03-31 — — WO 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 (2 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-10000501-B2 Inhibitors of HIF prolyl hydroxylase HIF1AN, HIF1A, EGLN2 PTGER4 2698/4885ALDH1A1 348/4885KCNQ2 4515/4885
US-20170240555-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE HIF1AN, HIF1A, EGLN2 PTGER4 2698/4885ALDH1A1 348/4885KCNQ2 4515/4885

“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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