Sugi Predict

Sugi Predict / Compounds / SCHEMBL1820699

SCHEMBL1820699

SCHEMBL1820699

O=C1CC(c2ccccc2)Oc2ccc(Br)cc21

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 5/20 0.74
▸ MAOB P27338 11/20 0.67
▸ CYP19A1 P11511 3/20 0.67
▸ ADORA3 P0DMS8 2/20 0.67
▸ KDM4E B2RXH2 1/20 0.67
▸ HSD17B10 Q99714 1/20 0.67
▸ ABCB1 P08183 1/20 0.64
▸ ABCG2 Q9UNQ0 1/20 0.64
▸ PBRM1 Q86U86 1/20 0.61
▸ MAOA P21397 1/20 0.61
▸ PSMB5 P28074 1/20 0.61
▸ STS P08842 1/20 0.59
▸ NPC1 O15118 2/20 0.58
▸ CYP3A4 P08684 2/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ MAPT P10636 1/20 0.58
▸ MAPK1 P28482 1/20 0.58

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
SCHEMBL14053522 1.00 AR (0.74) ARMAOBCYP19A1ADORA3KDM4E
SCHEMBL11249386 0.92 PBRM1 (0.63) ARMAOBCYP19A1ADORA3KDM4E
SCHEMBL1933329 0.88 MAOB (0.69) ARMAOBCYP19A1ADORA3KDM4E
SCHEMBL6711965 0.88 MAOB (0.69) ARMAOBCYP19A1ADORA3KDM4E
SCHEMBL1821217 0.87 AR (0.57) ARMAOBCYP19A1ADORA3KDM4E
SCHEMBL1823377 0.87 AR (0.57) ARMAOBCYP19A1ADORA3KDM4E
SCHEMBL1822266 0.87 MAOB (0.66) ARMAOBCYP19A1ADORA3PBRM1
SCHEMBL10362227 0.85 AR (1.00) ARMAOBCYP19A1ADORA3KDM4E
SCHEMBL126598 0.85 AR (1.00) ARMAOBCYP19A1ADORA3KDM4E
SCHEMBL1825322 0.85 AR (0.58) ARMAOBCYP19A1ADORA3KDM4E

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2714697-B1 SPIRO-[1,3]-OXAZINES AND SPIRO-[1,4]-OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS HOFFMANN LA ROCHE (CH) 2016-08-31 — — EP disclosed
US-9079919-B2 Spiro-[1,3]-oxazines and spiro-[1,4]-oxazepines as BACE1 and/or BACE2 inhibitors HOFFMANN-LA ROCHE INC. (US) 2015-07-14 — — US disclosed
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
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
WO-2012163790-A1 SPIRO-[1,3]-OXAZINES AND SPIRO-[1,4]-OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-12-06 — — WO disclosed
US-20120302549-A1 SPIRO-[1,3]-OXAZINES AND SPIRO-[1,4]-OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-11-29 — — 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
US-20110218192-A1 Inhibitors Of Beta-Secretase VITAE PHARMACEUTICALS, INC. (US) 2011-09-08 — — US disclosed
EP-2324032-A2 INHIBITORS OF BETA-SECRETASE Vitae Pharmaceuticals, Inc. (US) 2011-05-25 — — EP disclosed
WO-2010021680-A2 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. (US) 2010-02-25 — — WO disclosed
WO-2010021680-A2 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. (US) 2010-02-25 — — WO disclosed
US-20040147597-A1 Anti-mycobacterium compositions and methods of preparing and using same ADVANCED LIFE SCIENCES, INC. 2004-07-29 — — US disclosed
US-6677350-B1 ADMINISTERING CHALCONE-LIKE VINYLCARBONYL COMPOUNDS TO PREVENT OR TREAT MYCOBACTERIUM INFECTIONS/TUBERCULOSIS ADVANCED LIFE SCIENCES, INC. 2004-01-13 — — US 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 (4 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-20120302549-A1 SPIRO-[1,3]-OXAZINES AND SPIRO-[1,4]-OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS BACE1, BACE2, PSEN1 AR 1022/4885MAOB 442/4885CYP19A1 180/4885
US-20110218192-A1 Inhibitors Of Beta-Secretase BACE1, BACE2, APP AR 4331/4885MAOB 681/4885CYP19A1 1456/4885
US-20040147597-A1 Anti-mycobacterium compositions and methods of preparing and using same IMMT, CYP51A1, LSS AR 3497/4885MAOB 1715/4885CYP19A1 885/4885
US-20130317014-A1 INHIBITORS OF BETA-SECRETASE BACE1, BACE2, APP AR 4331/4885MAOB 681/4885CYP19A1 1456/4885

“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.