SCHEMBL17629541

SCHEMBL17629541

CCOC(=O)C1=C(NCc2ccc(C(F)(F)F)cc2)CCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ2 O43526 3/20 0.48
▸ KCNQ3 O43525 2/20 0.48
▸ TLR2 O60603 1/20 0.45
▸ KCNQ4 P56696 1/20 0.45
▸ KCNQ5 Q9NR82 1/20 0.45
▸ EPHX2 P34913 1/20 0.45
▸ PPARG P37231 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.45
▸ CRHBP P24387 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CRHR2 Q13324 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.42
▸ FFAR1 O14842 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ ADORA1 P30542 1/20 0.41

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
SCHEMBL335695 0.85 NPC1 (0.50) KCNQ2KCNQ3TLR2KCNQ4KCNQ5
SCHEMBL4489784 0.82 MAPT (0.50) TLR2KDM4EMAPTMEN1KMT2A
SCHEMBL17629577 0.79 MAPT (0.42) KCNQ2KCNQ3KCNQ4KCNQ5EPHX2
SCHEMBL14476743 0.79 MAPT (0.39) KCNQ2KCNQ3TLR2KDM4EMAPT
SCHEMBL14476609 0.79 MEN1 (0.39) TLR2KDM4EMAPTMEN1HSP90AA1
SCHEMBL17629592 0.79 KCNQ2 (0.43) KCNQ2KCNQ3KCNQ4KCNQ5EPHX2
SCHEMBL15692202 0.78 MAPT (0.40) TLR2KDM4EMAPTMEN1HSP90AA1
SCHEMBL15807091 0.77 MAPT (0.38) TLR2EPHX2KDM4EMAPTMEN1
SCHEMBL6503784 0.76 SLC6A2 (0.56) TLR2KDM4EMAPTMEN1HSP90AA1
SCHEMBL6503781 0.76 SLC6A2 (0.56) TLR2KDM4EMAPTMEN1HSP90AA1

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 4579/4885TLR2 3273/4885
US-20170240555-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE HIF1AN, HIF1A, EGLN2 KCNQ2 4515/4885KCNQ3 4579/4885TLR2 3273/4885

“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.

Send feedback