SCHEMBL2374444

SCHEMBL2374444

N#Cc1cccc(-c2ccc3c(c2)C(=O)CC2(CCc4ccccc4C2)O3)c1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 12/20 0.48
PGR P06401 3/20 0.47
CHEK1 O14757 1/20 0.41
OTUD7B Q6GQQ9 3/20 0.40
HTR2A P28223 1/20 0.40

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
SCHEMBL1821725 0.96 BACE1 (0.49) BACE1PGRCHEK1HTR2A
SCHEMBL7959142 0.95 BACE1 (0.45) BACE1PGRCHEK1OTUD7BHTR2A
SCHEMBL7960189 0.93 PGR (0.51) BACE1PGRCHEK1OTUD7BHTR2A
SCHEMBL2374775 0.85 BACE1 (0.44) BACE1PGROTUD7B
SCHEMBL2374777 0.85 BACE1 (0.44) BACE1PGROTUD7B
SCHEMBL1822380 0.84 PGR (0.50) BACE1PGRCHEK1HTR2A
SCHEMBL7959977 0.84 PGR (0.50) PGRCHEK1OTUD7BHTR2A
SCHEMBL7961771 0.82 PGR (0.44) BACE1PGROTUD7BHTR2A
SCHEMBL12246645 0.81 BACE1 (0.41) BACE1
SCHEMBL7962235 0.81 HTR2A (0.47) BACE1PGRHTR2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921359-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2014-12-30 US disclosed
US-8921359-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2014-12-30 US disclosed
EP-2324032-B1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS INC (US) 2014-10-01 EP disclosed
EP-2324032-B1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS INC (US) 2014-10-01 EP disclosed
US-20130317014-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. 2013-11-28 US disclosed
US-8450308-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2013-05-28 US disclosed
US-8450308-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2013-05-28 US disclosed
US-20110218192-A1 Inhibitors Of Beta-Secretase VITAE PHARMACEUTICALS, INC. (US) 2011-09-08 US disclosed
US-20110218192-A1 Inhibitors Of Beta-Secretase VITAE PHARMACEUTICALS, INC. (US) 2011-09-08 US disclosed
WO-2010021680-A2 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. (US) 2010-02-25 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-20110218192-A1 Inhibitors Of Beta-Secretase BACE1, BACE2, APP BACE1 1/4885PGR 4654/4885CHEK1 4085/4885
US-20130317014-A1 INHIBITORS OF BETA-SECRETASE BACE1, BACE2, APP BACE1 1/4885PGR 4654/4885CHEK1 4085/4885

“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.