Sugi Predict

Sugi Predict / Compounds / SCHEMBL72976

SCHEMBL72976

SCHEMBL72976

[CH2]OC(=O)OC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 2/20 0.47
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ NAAA Q02083 2/20 0.40
▸ HTT P42858 1/20 0.39
▸ CYP19A1 P11511 4/20 0.37
▸ MMP9 P14780 2/20 0.36
▸ MMP12 P39900 2/20 0.36
▸ MMP1 P03956 1/20 0.36
▸ FABP7 O15540 1/20 0.35
▸ FABP5 Q01469 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ CES2 O00748 1/20 0.35
▸ CES1 P23141 1/20 0.35

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
SCHEMBL10598876 1.00 EPHX1 (0.47) EPHX1CA12CA1CA2CA9
SCHEMBL8582703 1.00 EPHX1 (0.47) EPHX1CA12CA1CA2CA9
SCHEMBL305952 0.98 EPHX1 (0.43) EPHX1CA12CA1CA2CA9
SCHEMBL698654 0.93 — —
SCHEMBL697518 0.87 — —
Formaldehyde SCHEMBL28239830 0.85 EPHX1 (0.56) EPHX1CA12CA1CA2CA9
SCHEMBL8426647 0.85 EPHX1 (0.60) EPHX1CA12CA1CA2CA9
SCHEMBL13387598 0.85 EPHX1 (0.60) EPHX1CA12CA1CA2CA9
SCHEMBL11589654 0.85 EPHX1 (0.60) EPHX1CA12CA1CA2CA9
SCHEMBL984315 0.85 EPHX1 (0.60) EPHX1CA12CA1CA2CA9

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 1611 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150361107-A1 ORALLY BIOAVAILABLE BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-12-17 — — US claimed
EP-2793887-B1 SULPHONYLAMINOPYRROLIDINONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATION SANOFI SA (FR) 2015-10-21 — — EP claimed
US-9150544-B2 Sulphonylaminopyrrolidinone derivatives, their preparation and their therapeutic application SANOFI (FR) 2015-10-06 — — US claimed
US-20140329801-A1 SULPHONYLAMINOPYRROLIDINONE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2014-11-06 — — US claimed
EP-2793887-A1 SULPHONYLAMINOPYRROLIDINONE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2014-10-29 — — EP claimed
EP-2189443-B1 TRICYCLIC AMIDE COMPOUND RES FOUND ITSUU LAB (JP) 2013-10-23 — — EP claimed
WO-2013092756-A1 SULPHONYLAMINOPYRROLIDINONE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2013-06-27 — — WO claimed
EP-2606893-A1 Sulphonylaminopyrrolidinone derivatives, their preparation and their therapeutic application SANOFI (FR) 2013-06-26 — — EP claimed
US-7687490-B2 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2010-03-30 — — US claimed
US-20080132481-A1 INTERLEUKIN-4 GENE EXPRESSION INHIBITORS AVENTIS PHARMACEUTICALS INC. 2008-06-05 — — US claimed
US-5459148-A Cardiovascular disorders SANKYO COMPANY, LIMITED (JP) 1995-10-17 — — US claimed
WO-1995011905-A1 2-(PYRAZOL-3-YL)CARBAPENEM DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1995-05-04 — — WO claimed
EP-0639193-A1 ESTERS OF ANTIBACTERIAL CONDENSED CARBAPENEME DERIVATIVES GLAXO S.p.A. (IT) 1995-02-22 — — EP claimed
EP-0603001-A1 Biphenyl derivatives, their preparation and their use for the treatment of hypertension and cardiac disease SANKYO COMPANY LIMITED (JP) 1994-06-22 — — EP claimed
EP-0495953-B1 10-(1-Hydroxyethyl)-11-oxo-1-azatricyclo[7.2.0.0(3,8)]undec-2-ene-2-carboxylic acid esters and a process for preparing thereof GLAXO SPA (IT) 1994-06-08 — — EP claimed
WO-1992015588-A1 ESTERS OF ANTIBACTERIAL CONDENSED CARBAPENEME DERIVATIVES GLAXO S.P.A. (IT) 1992-09-17 — — WO claimed
EP-0502465-A1 Esters of antibacterial condensed carbapenemederivatives GLAXO S.p.A. (IT) 1992-09-09 — — EP claimed
EP-0495953-A1 10-(1-Hydoxyethyl)-11-oxo-1-azatricyclo(7.2.0.0(3,8)undec-2-ene-2-carboxylic acid esters and a process for preparing thereof. GLAXO SPA (IT) 1992-07-29 — — EP claimed
WO-1992003437-A1 10(1-HYDROXYETHYL)-11-OXO-1-AZATRICYCLO[7.2.0.0.3.8]UNDEC-2-ENE-2-CARBOXYLIC ACID ESTERS AND A PROCESS FOR PREPARING THEREOF GLAXO S.P.A. (IT) 1992-03-05 — — WO claimed
EP-0128029-B1 CEPHALOSPORIN ESTER DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1989-02-08 — — EP 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 (3 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-20140329801-A1 SULPHONYLAMINOPYRROLIDINONE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION F9, TFPI, SERPINC1 EPHX1 1946/4885CA12 2924/4885CA1 2706/4885
US-20150361107-A1 ORALLY BIOAVAILABLE BETA-LACTAMASE INHIBITORS SI, ALPI, GAA EPHX1 855/4885CA12 2870/4885CA1 2658/4885
US-20080132481-A1 INTERLEUKIN-4 GENE EXPRESSION INHIBITORS IL4, STAT4, STAT6 EPHX1 2894/4885CA12 2471/4885CA1 2982/4885

“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.