Sugi Predict

Sugi Predict / Compounds / SCHEMBL7962452

SCHEMBL7962452

SCHEMBL7962452

O=C1CC(C2COCc3ccccc32)Oc2ccc(Br)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 8/20 0.52
▸ PBRM1 Q86U86 1/20 0.48
▸ CYP3A4 P08684 1/20 0.40
▸ CYP19A1 P11511 1/20 0.39
▸ APP P05067 1/20 0.36
▸ MAPK1 P28482 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33

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
SCHEMBL7962622 0.84 AR (0.54) ARPBRM1CYP3A4CYP19A1MAPK1
SCHEMBL7949251 0.82 AR (0.52) ARPBRM1CYP3A4CYP19A1MAPK1
SCHEMBL7962471 0.79 BACE1 (0.37) ARCYP3A4CYP19A1RORC
SCHEMBL12247407 0.79 AR (0.33) ARCYP3A4MAPK1KDM4EALDH1A1
SCHEMBL7959926 0.76 AR (0.53) ARPBRM1CYP3A4CYP19A1MAPK1
SCHEMBL7959516 0.74 PBRM1 (0.50) ARPBRM1CYP3A4CYP19A1APP
SCHEMBL1979482 0.72 PBRM1 (0.63) ARPBRM1CYP3A4CYP19A1MAOA
SCHEMBL1824777 0.70 PBRM1 (0.57) ARPBRM1RORC
SCHEMBL16105864 0.69 PBRM1 (0.52) ARPBRM1CYP19A1APPMEN1
SCHEMBL7968965 0.69 PBRM1 (0.52) ARPBRM1CYP19A1APPMEN1

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 AR 4331/4885PBRM1 2309/4885CYP3A4 2448/4885

“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.