Sugi Predict

Sugi Predict / Compounds / SCHEMBL1474219

SCHEMBL1474219

SCHEMBL1474219

COc1cc2c[c]sc2cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ MAOA P21397 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ STING1 Q86WV6 8/20 0.35
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ EHMT2 Q96KQ7 1/20 0.33
▸ PDGFRB P09619 1/20 0.32
▸ PDGFRA P16234 1/20 0.32
▸ NQO2 P16083 1/20 0.32
▸ ACHE P22303 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 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
SCHEMBL533343 0.85 STING1 (0.38) ALDH1A1SMN1; SMN2STING1
SCHEMBL169044 0.77 — —
SCHEMBL385641 0.76 BACE1 (0.49) ALDH1A1KDM4ECYP3A4MAPTCA12
SCHEMBL5537055 0.75 MAOA (0.38) KDM4EMAOACYP3A4MAPTPDGFRB
SCHEMBL851944 0.74 — —
SCHEMBL533031 0.72 CYP1A2 (0.45) ALDH1A1KDM4ESMN1; SMN2CYP3A4MAPT
SCHEMBL11496731 0.68 ALDH1A1 (0.63) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL9426949 0.67 FLT1 (0.31) —
SCHEMBL533084 0.67 — —
SCHEMBL27765191 0.66 ALDH1A1 (0.60) ALDH1A1PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060194787-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2006-08-31 — — US claimed
US-20040044201-A1 Protease inhibitors GLAXOSMITHKLINE LLC 2004-03-04 — — US claimed
US-20040038965-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2004-02-26 — — US claimed
EP-1384713-A1 4-amino-azepan-3-one derivatives as protease inhibitors SmithKline Beecham Corporation (US) 2004-01-28 — — EP claimed
US-20040002487-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2004-01-01 — — US claimed
US-20030225061-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2003-12-04 — — US claimed
US-20030144175-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-07-31 — — US claimed
US-20020147188-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-10-10 — — US claimed
EP-1158986-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 — — EP claimed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 — — EP claimed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 — — WO claimed
US-20110112089-A1 Cysteine Protease Inhibitors MEDIVIR AB (SE) 2011-05-12 — — US disclosed
US-7915300-B2 Especially those of papain superfamily; prophylaxis or treatment of disorders stemming from misbalance of physiological proteases such as cathepsin K; (3aS,6S,6aS)-6-Fluoro-4-{(S)-4-methyl-2-[(R)-2,2,2-trifluoro-1-(4'-methanesulfonylbiphenyl-4-yl)-ethylamino]-pentanoyl}-tetrahydro-furo[3,2-b]pyrrol-3-one MEDIVIR AB (SE) 2011-03-29 — — US disclosed
US-7563784-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-21 — — US disclosed
US-20090023747-A1 Cysteine Protease Inhibitors MEDIVIR AB (SE) 2009-01-22 — — US disclosed
US-20030044399-A1 Method of treatment SMITHKLINE BEECHAM CORPORATION 2003-03-06 — — US disclosed
US-20020147188-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-10-10 — — US disclosed
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 — — WO disclosed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 — — WO disclosed
WO-2001070232-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-27 — — 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 (10 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-20040038965-A1 Protease inhibitors CTSK, CTSZ, CTSE ALDH1A1 3561/4885PDE4A 1525/4885PDE4B 2882/4885
US-20090023747-A1 Cysteine Protease Inhibitors CTSK, CTSS, CTSZ ALDH1A1 2639/4885PDE4A 4846/4885PDE4B 4823/4885
US-20030225061-A1 Protease inhibitors CTSK, MMP13, CTSZ ALDH1A1 3651/4885PDE4A 855/4885PDE4B 1707/4885
US-20060194787-A1 Protease inhibitors CTSK, CTSL, CTSZ ALDH1A1 2646/4885PDE4A 1311/4885PDE4B 2219/4885
US-20030044399-A1 Method of treatment DNPEP, PEPD, ANPEP ALDH1A1 1483/4885PDE4A 931/4885PDE4B 1408/4885
US-20040044201-A1 Protease inhibitors CTSK, CTSE, CTSZ ALDH1A1 3139/4885PDE4A 862/4885PDE4B 1615/4885
US-20110112089-A1 Cysteine Protease Inhibitors CTSS, CTSZ, CTSK ALDH1A1 4297/4885PDE4A 4783/4885PDE4B 4691/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ ALDH1A1 3651/4885PDE4A 855/4885PDE4B 1707/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ ALDH1A1 3651/4885PDE4A 855/4885PDE4B 1707/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ ALDH1A1 3651/4885PDE4A 855/4885PDE4B 1707/4885

“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.