SCHEMBL17629557

SCHEMBL17629557

COC(=O)C1=C(NCc2ccc(C(F)(F)F)cc2)COCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 2/20 0.44
▸ GAA P10253 1/20 0.41
▸ FFAR1 O14842 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CASP3 P42574 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPK8 P45983 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ KCNQ2 O43526 2/20 0.38
▸ KCNQ3 O43525 1/20 0.38
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ LSS P48449 1/20 0.37
▸ ASPH Q12797 1/20 0.37

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
SCHEMBL17633125 0.89 FFAR1 (0.42) GAAFFAR1CA1CA2CASP3
SCHEMBL17629530 0.79 PTGER4 (0.43) PTGER4GAAFFAR1HDAC3HDAC1
SCHEMBL17629541 0.74 KCNQ2 (0.48) FFAR1CASP3HDAC3HDAC1HDAC2
SCHEMBL14326963 0.73 CASP3 (0.41) CA1CA2CASP3
SCHEMBL3778231 0.73 KMT2A (0.41) GAACA1CA2CASP3KDM4E
SCHEMBL17629533 0.71 TRPM2 (0.36) PTGER4EPHX2KDM4EMAPK8MAPK10
SCHEMBL18528163 0.70 MAPT (0.46) GAACASP3KDM4E
SCHEMBL2647581 0.70 CA1 (0.77) FFAR1CA1CA2HDAC3HDAC1
SCHEMBL22631466 0.69 PTGER4 (0.62) PTGER4GAAKDM4E
SCHEMBL13712221 0.69 MAPT (0.45) GAACA1CA2CASP3KDM4E

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 PTGER4 2698/4885GAA 66/4885FFAR1 1031/4885
US-20170240555-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE HIF1AN, HIF1A, EGLN2 PTGER4 2698/4885GAA 66/4885FFAR1 1031/4885

“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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