SCHEMBL17629592

SCHEMBL17629592

CCOC(=O)C1=C(NCc2ccc(C(F)(F)F)cc2)CN(C)C(=O)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ2 O43526 3/20 0.43
▸ KCNQ3 O43525 2/20 0.43
▸ CASP3 P42574 2/20 0.43
▸ KCNQ4 P56696 1/20 0.41
▸ KCNQ5 Q9NR82 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ P2RX7 Q99572 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA2B P29275 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ FFAR1 O14842 1/20 0.39
▸ MAPT P10636 2/20 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

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
SCHEMBL17629541 0.79 KCNQ2 (0.48) KCNQ2KCNQ3CASP3KCNQ4KCNQ5
SCHEMBL19251687 0.77 PPARG (0.38) KDM4EALDH1A1EPHX2PPARGMAPT
SCHEMBL17629585 0.75 CETP (0.43) KDM4EALDH1A1PPARGMAPTMEN1
SCHEMBL17629575 0.74 KDM4E (0.44) CASP3KDM4EALDH1A1MAPTMEN1
SCHEMBL17629577 0.73 MAPT (0.42) KCNQ2KCNQ3CASP3KCNQ4KCNQ5
SCHEMBL17629595 0.69 EGLN1 (0.54) KDM4EALDH1A1MAPT
SCHEMBL31141694 0.69 HDAC3 (0.65) KCNQ2KCNQ3ADORA3ADORA2AADORA2B
SCHEMBL3899794 0.68 DHODH (0.48) CASP3KDM4EFFAR1MAPTMEN1
SCHEMBL17629568 0.67 KDM4E (0.52) CASP3KDM4EALDH1A1MAPTMEN1
SCHEMBL21789094 0.67 PPARG (0.44) KCNQ2KCNQ3KCNQ4KCNQ5KDM4E

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 KCNQ2 4515/4885KCNQ3 4579/4885CASP3 4620/4885
US-20170240555-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE HIF1AN, HIF1A, EGLN2 KCNQ2 4515/4885KCNQ3 4579/4885CASP3 4620/4885

“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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