SCHEMBL17629532

SCHEMBL17629532

CCOC(=O)CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1=C(C(=O)OC)COC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.37
▸ PPARG P37231 2/20 0.37
▸ EPHX2 P34913 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ TRPM2 O94759 1/20 0.36
▸ MAPK8 P45983 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ NR1H4 Q96RI1 2/20 0.35
▸ CETP P11597 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ LTB4R2 Q9NPC1 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ LSS P48449 1/20 0.35
▸ TRPM8 Q7Z2W7 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL17629533 0.91 TRPM2 (0.36) ALDH1A1PPARGEPHX2KDM4ETRPM2
SCHEMBL3265220 0.87 LMNA (0.37) ALDH1A1KDM4EMAPTLTB4R2NPSR1
SCHEMBL17629556 0.82 PPARG (0.35) PPARGEPHX2TRPM2NR1H4CETP
SCHEMBL19251713 0.80 TLR2 (0.39) ALDH1A1PPARGEPHX2KDM4ETRPM2
SCHEMBL17629564 0.76 PPARG (0.35) ALDH1A1PPARGEPHX2KDM4ETRPM2
SCHEMBL19251687 0.75 PPARG (0.38) ALDH1A1PPARGEPHX2KDM4ETRPM2
SCHEMBL3776799 0.73 MAPK1 (0.46) ALDH1A1KDM4EMAPT
SCHEMBL17629562 0.72 CACNA1F (0.36) ALDH1A1PPARGEPHX2KDM4ETRPM2
SCHEMBL19251699 0.72 MAPT (0.39) ALDH1A1KDM4ETRPM2CETPMAPT
SCHEMBL17629493 0.70 ALDH1A1 (0.37) ALDH1A1KDM4EMAPTNPSR1

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 12 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
US-20170226120-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2017-08-10 — — US disclosed
US-20170226120-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2017-08-10 — — US disclosed
US-20170226120-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2017-08-10 — — US disclosed
EP-3197451-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE Merck Sharp & Dohme Corp. (US) 2017-08-02 — — EP 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
WO-2016049100-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2016-03-31 — — WO disclosed
WO-2016045128-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2016-03-31 — — WO disclosed
WO-2016049100-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 (3 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-20170226120-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE HIF1AN, HIF1A, EGLN2 ALDH1A1 291/4885PPARG 587/4885EPHX2 725/4885
US-10000501-B2 Inhibitors of HIF prolyl hydroxylase HIF1AN, HIF1A, EGLN2 ALDH1A1 348/4885PPARG 741/4885EPHX2 996/4885
US-20170240555-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE HIF1AN, HIF1A, EGLN2 ALDH1A1 348/4885PPARG 741/4885EPHX2 996/4885

“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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