SCHEMBL7958771

SCHEMBL7958771

CC1CCCC2(C1)CC1(NC(=S)NC1=O)c1cc(Br)ccc1O2

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BACE1 P56817 7/20 0.38
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
AKR1B1 P15121 2/20 0.31
CTSD P07339 1/20 0.31

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
SCHEMBL7948929 0.90 ATM (0.41) ATML3MBTL1BACE1AKR1B1
SCHEMBL7965084 0.89 ATM (0.41) ATML3MBTL1BACE1LMNAPKM
SCHEMBL7948443 0.88 BACE1 (0.37) L3MBTL1BACE1LMNAPKMAKR1B1
SCHEMBL7948410 0.88 BACE1 (0.41) BACE1LMNAPKMAKR1B1CTSD
SCHEMBL7948007 0.86 BACE1 (0.37) ATML3MBTL1BACE1LMNAAKR1B1
SCHEMBL7949448 0.86 BACE1 (0.35) BACE1
SCHEMBL7957156 0.85 BACE1 (0.37) ATML3MBTL1BACE1LMNAAKR1B1
SCHEMBL7956723 0.85 BACE1 (0.37) ATML3MBTL1BACE1LMNAAKR1B1
SCHEMBL7956969 0.83 BACE1 (0.38) L3MBTL1BACE1AKR1B1CTSD
SCHEMBL12246248 0.83 ATM (0.41) ATMBACE1CTSD

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 8 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
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 (1 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 ATM 4610/4885L3MBTL1 4451/4885BACE1 1/4885

“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.