SCHEMBL17629564

SCHEMBL17629564

CCOC(=O)CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1=C(C(=O)OC)C(CC(C)C)OCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ SLC6A2 P23975 2/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TRPM2 O94759 1/20 0.33
▸ CACNA1F O60840 1/20 0.33
▸ CACNA1D Q01668 1/20 0.33
▸ CACNA1S Q13698 1/20 0.33
▸ CACNA1C Q13936 1/20 0.33
▸ CETP P11597 1/20 0.32
▸ MAPK8 P45983 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ UBE2M P61081 1/20 0.32
▸ DCUN1D1 Q96GG9 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ NOS3 P29474 1/20 0.32
▸ NOS1 P29475 1/20 0.32
▸ NOS2 P35228 1/20 0.32

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
SCHEMBL17629562 0.83 CACNA1F (0.36) PPARGEPHX2ALDH1A1SLC6A2SLC6A4
SCHEMBL17629533 0.78 TRPM2 (0.36) PPARGEPHX2ALDH1A1KDM4ETRPM2
SCHEMBL17629556 0.77 PPARG (0.35) PPARGEPHX2SLC6A2SLC6A4TRPM2
SCHEMBL17629532 0.76 ALDH1A1 (0.37) PPARGEPHX2ALDH1A1KDM4ETRPM2
SCHEMBL19251713 0.72 TLR2 (0.39) PPARGEPHX2ALDH1A1KDM4ETRPM2
SCHEMBL19251687 0.70 PPARG (0.38) PPARGEPHX2ALDH1A1KDM4ETRPM2
SCHEMBL19251699 0.67 MAPT (0.39) ALDH1A1KDM4ETRPM2CETP
SCHEMBL18025451 0.66 CCR2 (0.36) PPARGEPHX2KDM4ETRPM2CETP
SCHEMBL16762036 0.66 CCR2 (0.37) PPARGEPHX2ALDH1A1KDM4ETRPM2
SCHEMBL16839110 0.64 CCR2 (0.36) PPARGEPHX2ALDH1A1KDM4ETRPM2

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 PPARG 741/4885EPHX2 996/4885ALDH1A1 348/4885
US-20170240555-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE HIF1AN, HIF1A, EGLN2 PPARG 741/4885EPHX2 996/4885ALDH1A1 348/4885

“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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