SCHEMBL19251713

SCHEMBL19251713

CCOC(=O)C1=C(N(Cc2ccc(C(F)(F)F)cc2)C(=O)CC(=O)OC)CCCC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 1/20 0.39
▸ CETP P11597 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ PPARG P37231 2/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ MAPT P10636 4/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ TRPM2 O94759 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ LSS P48449 1/20 0.36
▸ MAOB P27338 1/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ MAPK10 P53779 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 0.81 TRPM2 (0.36) TLR2CETPKDM4EALDH1A1PPARG
SCHEMBL17629532 0.80 ALDH1A1 (0.37) CETPKDM4EALDH1A1PPARGEPHX2
SCHEMBL941008 0.78 CETP (0.38) CETPKDM4EALDH1A1PPARGEPHX2
SCHEMBL19251699 0.77 MAPT (0.39) CETPKDM4EALDH1A1MAPTMEN1
SCHEMBL19251687 0.77 PPARG (0.38) CETPKDM4EALDH1A1PPARGEPHX2
SCHEMBL17629556 0.77 PPARG (0.35) CETPPPARGEPHX2MAPTTRPM2
SCHEMBL17629541 0.72 KCNQ2 (0.48) TLR2KDM4EALDH1A1PPARGEPHX2
SCHEMBL17629564 0.72 PPARG (0.35) CETPKDM4EALDH1A1PPARGEPHX2
SCHEMBL6503784 0.70 SLC6A2 (0.56) TLR2KDM4EALDH1A1MAPTMEN1
SCHEMBL6503781 0.70 SLC6A2 (0.56) TLR2KDM4EALDH1A1MAPTMEN1

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 3 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

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 TLR2 3273/4885CETP 2105/4885KDM4E 469/4885
US-20170240555-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE HIF1AN, HIF1A, EGLN2 TLR2 3273/4885CETP 2105/4885KDM4E 469/4885

“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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