Sugi Predict

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SCHEMBL2640274

SCHEMBL2640274

O=C(O)C1(C(=O)O)CC(OCc2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.47
▸ CTSL P07711 1/20 0.45
▸ CTSB P07858 1/20 0.45
▸ CTSK P43235 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ OPRM1 P35372 2/20 0.44
▸ OPRL1 P41146 2/20 0.44
▸ DPP4 P27487 1/20 0.44
▸ GRM2 Q14416 1/20 0.43
▸ GRM3 Q14832 1/20 0.43
▸ PDPK1 O15530 1/20 0.42
▸ MTOR P42345 1/20 0.42
▸ PSEN1 P49768 1/20 0.42
▸ PSEN2 P49810 1/20 0.42
▸ APH1B Q8WW43 1/20 0.42
▸ NCSTN Q92542 1/20 0.42
▸ APH1A Q96BI3 1/20 0.42
▸ PSENEN Q9NZ42 1/20 0.42
▸ AGTR2 P50052 2/20 0.41
▸ BCHE P06276 1/20 0.41

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
SCHEMBL32676611 0.88 EPHX2 (0.44) EPHX2CTSLCTSBCTSKALDH1A1
SCHEMBL7936878 0.87 DPP4 (0.46) EPHX2CTSLCTSBCTSKALDH1A1
SCHEMBL8053435 0.85 ADAM17 (0.45) EPHX2ALDH1A1OPRM1OPRL1MAPK1
SCHEMBL31471348 0.85 EPHX2 (0.46) EPHX2CTSLCTSBCTSKALDH1A1
Hydrochloric Acid SCHEMBL8049068 0.84 ADAM17 (0.44) EPHX2ALDH1A1OPRM1OPRL1MAPK1
SCHEMBL28699610 0.84 TSHR (0.43) EPHX2CTSLCTSBCTSKALDH1A1
SCHEMBL15927870 0.84 OPRM1 (0.43) EPHX2CTSLCTSBCTSKALDH1A1
SCHEMBL9960560 0.83 EPHX2 (0.45) EPHX2CTSLCTSBCTSKALDH1A1
SCHEMBL19385743 0.83 OPRM1 (0.46) EPHX2CTSLCTSBCTSKALDH1A1
SCHEMBL296907 0.83 GRM2 (0.47) EPHX2CTSLCTSBCTSKALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11161837-B2 Benzofuran derivatives for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2021-11-02 — — US disclosed
US-11161837-B2 Benzofuran derivatives for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2021-11-02 — — US disclosed
US-20200291002-A1 BENZOFURAN DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2020-09-17 — — US disclosed
US-20200291002-A1 BENZOFURAN DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2020-09-17 — — US disclosed
WO-2017165233-A1 BENZOFURAN DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-28 — — WO disclosed
WO-2017165233-A1 BENZOFURAN DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-28 — — WO disclosed
US-20160280703-A1 Heteroaryloxycarbocyclyl Compounds as PDE 10 Inhibitors AMGEN INC. 2016-09-29 — — US disclosed
US-8952037-B2 Heteroaryloxycarbocyclyl compounds as PDE10 inhibitors AMGEN INC. (US) 2015-02-10 — — US disclosed
EP-2752404-A1 Cysteine protease inhibitors Medivir UK Ltd (GB) 2014-07-09 — — EP disclosed
EP-2569306-A1 HETEROARYLOXYCARBOCYCLYL COMPOUNDS AS PDE10 INHIBITORS Amgen Inc. (US) 2013-03-20 — — EP disclosed
US-20080275251-A1 Novel Intermediates and Their Use GLAXO GROUP LIMITED (GB) 2008-11-06 — — US disclosed
US-20080275251-A1 Novel Intermediates and Their Use GLAXO GROUP LIMITED (GB) 2008-11-06 — — US disclosed
US-20080269342-A1 Pleuromutilin Derivatives and Its Use GLAXO GROUP LIMITED (GB) 2008-10-30 — — US disclosed
US-20080269342-A1 Pleuromutilin Derivatives and Its Use GLAXO GROUP LIMITED (GB) 2008-10-30 — — US disclosed
WO-2007062333-A2 NEW PLEUROMUTILIN DERIVATIVE AND ITS USE GLAXO GROUP LIMITED (GB) 2007-05-31 — — WO disclosed
US-6001841-A ANTISENSE DIAGNOSTICS, THERAPEUTICS AND RESEARCH REAGENTS. ISIS PHARMACEUTICALS, INC. (US) 1999-12-14 — — US disclosed
EP-0352013-B1 Hydroxymethyl cyclobutyl purines SQUIBB & SONS INC (US) 1996-05-01 — — EP disclosed
US-5369098-A Viricides E. R. SQUIBB & SONS, INC. (US) 1994-11-29 — — US disclosed
US-5359044-A Diagnosis, chemical intermediates ISIS PHARMACEUTICALS (US) 1994-10-25 — — US disclosed
EP-0352013-A2 Hydroxymethyl cyclobutyl purines E.R. Squibb & Sons, Inc. (US) 1990-01-24 — — EP 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 (5 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-20200291002-A1 BENZOFURAN DERIVATIVES FOR THE TREATMENT OF HEPATITIS C HAVCR2, UGT2B7, GOT1 EPHX2 3408/4885CTSL 1546/4885CTSB 1887/4885
US-20160280703-A1 Heteroaryloxycarbocyclyl Compounds as PDE 10 Inhibitors PDE10A, PDE9A, PDE7A EPHX2 2183/4885CTSL 2594/4885CTSB 1237/4885
US-11161837-B2 Benzofuran derivatives for the treatment of hepatitis C HAVCR2, UGT2B7, GOT1 EPHX2 3408/4885CTSL 1546/4885CTSB 1887/4885
US-20080269342-A1 Pleuromutilin Derivatives and Its Use PLEC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IL17A EPHX2 3383/4885CTSL 2945/4885CTSB 4044/4885
US-20080275251-A1 Novel Intermediates and Their Use PLEC, NISCH, ALK EPHX2 960/4885CTSL 1674/4885CTSB 1053/4885

“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.