SCHEMBL17629562

SCHEMBL17629562

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CACNA1F O60840 2/20 0.36
▸ CACNA1D Q01668 2/20 0.36
▸ CACNA1S Q13698 2/20 0.36
▸ CACNA1C Q13936 2/20 0.36
▸ PPARG P37231 2/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ SLC6A2 P23975 2/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TRPM2 O94759 1/20 0.33
▸ CETP P11597 1/20 0.32
▸ UBE2M P61081 1/20 0.32
▸ DCUN1D1 Q96GG9 1/20 0.32
▸ HTR2A P28223 2/20 0.32
▸ PSMB5 P28074 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL17629556 0.83 PPARG (0.35) CACNA1FCACNA1DCACNA1SCACNA1CPPARG
SCHEMBL17629564 0.83 PPARG (0.35) CACNA1FCACNA1DCACNA1SCACNA1CPPARG
SCHEMBL17629533 0.74 TRPM2 (0.36) PPARGEPHX2KDM4EALDH1A1TRPM2
SCHEMBL17629532 0.72 ALDH1A1 (0.37) PPARGEPHX2KDM4EALDH1A1TRPM2
SCHEMBL19251713 0.70 TLR2 (0.39) PPARGEPHX2KDM4EALDH1A1TRPM2
SCHEMBL19251687 0.70 PPARG (0.38) PPARGEPHX2KDM4EALDH1A1TRPM2
SCHEMBL19251699 0.67 MAPT (0.39) KDM4EALDH1A1TRPM2CETP
SCHEMBL22541467 0.63 CYP19A1 (0.47) PPARGALDH1A1
SCHEMBL17629530 0.62 PTGER4 (0.43) CACNA1FCACNA1DCACNA1SCACNA1CPPARG
SCHEMBL16839110 0.62 CCR2 (0.36) PPARGEPHX2KDM4EALDH1A1TRPM2

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 CACNA1F 4585/4885CACNA1D 4788/4885CACNA1S 4762/4885
US-20170240555-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE HIF1AN, HIF1A, EGLN2 CACNA1F 4585/4885CACNA1D 4788/4885CACNA1S 4762/4885

“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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