Sugi Predict

Sugi Predict / Compounds / SCHEMBL607802

SCHEMBL607802

SCHEMBL607802

CC(C(N)=O)c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.58
▸ APP P05067 1/20 0.53
▸ ADRB2 P07550 1/20 0.52
▸ BRD4 O60885 1/20 0.48
▸ FFAR2 O15552 3/20 0.47
▸ HDAC4 P56524 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC5 Q9UQL6 1/20 0.44
▸ GABBR2 O75899 3/20 0.43
▸ GABBR1 Q9UBS5 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43

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
SCHEMBL607803 1.00 EPHX1 (0.58) EPHX1APPADRB2BRD4FFAR2
SCHEMBL7794207 1.00 EPHX1 (0.58) EPHX1APPADRB2BRD4FFAR2
SCHEMBL5787219 0.94 EPHX1 (0.53) EPHX1APPADRB2BRD4FFAR2
SCHEMBL2171656 0.89 EPHX1 (0.49) EPHX1APPADRB2BRD4FFAR2
SCHEMBL27536656 0.82 BRD4 (0.52) ADRB2BRD4FFAR2HDAC4HDAC7
SCHEMBL11809708 0.81 APP (0.52) EPHX1APPLMNACYP2C9CYP1A2
Guanidine SCHEMBL5348313 0.80 PTGS2 (0.52) APPADRB2LMNACYP2C9NFKB1
SCHEMBL13446952 0.80 EPHX1 (0.60) EPHX1APPLMNACYP2C9NFKB1
SCHEMBL15695554 0.80 BRD4 (0.61) ADRB2BRD4FFAR2HDAC4HDAC7
SCHEMBL964721 0.80 EPHX1 (0.60) EPHX1APPLMNACYP2C9NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113214134-B Synthesis method of quaternary carbon oxoindole skeleton 南通大学 2022-08-30 — — CN claimed
EP-2414346-B1 AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2015-06-24 — — EP claimed
EP-2635562-B1 PYRROLIDINE DERIVATIVES USED AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2014-09-03 — — EP claimed
EP-2635562-A1 PYRROLIDINE DERIVATIVES USED AS CATHEPSIN INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-09-11 — — EP claimed
US-8524710-B2 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. (US) 2013-09-03 — — US claimed
US-8497283-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2013-07-30 — — US claimed
US-20130023556-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-01-24 — — US claimed
US-8329907-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2012-12-11 — — US claimed
WO-2012059507-A1 PYRROLIDINE DERIVATIVES USED AS CATHEPSIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-10 — — WO claimed
US-20120115843-A1 NOVEL PYRROLIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-05-10 — — US claimed
EP-1660507-B1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON INC (US) 2009-08-05 — — EP claimed
EP-1869038-B1 SUBSTITUTED 5,6,7,8-TETRAHYDRO-IMIDAZO[1,2-A]PYRIDIN-2-YLAMINE COMPOUNDS AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2009-07-08 — — EP claimed
US-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments GRUENENTHAL GMBH (DE) 2009-05-28 — — US claimed
US-20080300256-A1 Substituted 5,6,7,8-Tetrahydroimidazo[1,2-a]pyridin-2-ylamine Compounds and Their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-12-04 — — US claimed
CN-1867572-A proteasome inhibitors and methods of use thereof CEPHALON INC (US) 2006-11-22 — — CN claimed
EP-1660507-A2 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2006-05-31 — — EP claimed
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 — — EP claimed
US-20050107307-A1 Proteasome inhibitors and methods of using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-19 — — US claimed
WO-2005021558-A2 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2005-03-10 — — WO claimed
US-5578601-A Nonpeptide bradykinin antagonists STERLING WINTHROP INC. (US) 1996-11-26 — — US claimed

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-20080300256-A1 Substituted 5,6,7,8-Tetrahydroimidazo[1,2-a]pyridin-2-ylamine Compounds and Their Use for Producing Drugs CYP3A7, CYP3A5, CYP2D6 EPHX1 2029/4885APP 1156/4885ADRB2 59/4885
US-20050107307-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 EPHX1 2993/4885APP 1127/4885ADRB2 4539/4885
US-20120115843-A1 NOVEL PYRROLIDINE DERIVATIVES CTSD, CTSV, CTSS EPHX1 1235/4885APP 448/4885ADRB2 4366/4885
US-20130023556-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 EPHX1 567/4885APP 1788/4885ADRB2 4126/4885
US-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments OPRL1, TPH1, OPRK1 EPHX1 597/4885APP 3950/4885ADRB2 44/4885

“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.