SCHEMBL5590882

SCHEMBL5590882

CC(=O)NC1CC2CCC1C2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.58
EPHX1 P07099 1/20 0.56
TAS1R3 Q7RTX0 1/20 0.53
TAS1R1 Q7RTX1 1/20 0.53
TAS1R2 Q8TE23 1/20 0.53
MAPT P10636 1/20 0.51
SIGMAR1 Q99720 4/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.48
GRIN2D O15399 2/20 0.47
GRIN3B O60391 2/20 0.47
GRIN1 Q05586 2/20 0.47
GRIN2A Q12879 2/20 0.47
GRIN2B Q13224 2/20 0.47
GRIN2C Q14957 2/20 0.47
GRIN3A Q8TCU5 2/20 0.47
HTT P42858 1/20 0.47
HPGD P15428 1/20 0.46

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
SCHEMBL19688352 1.00 EPHX2 (0.58) EPHX2EPHX1TAS1R3TAS1R1TAS1R2
SCHEMBL5590888 1.00 EPHX2 (0.58) EPHX2EPHX1TAS1R3TAS1R1TAS1R2
SCHEMBL5590880 1.00 EPHX2 (0.58) EPHX2EPHX1TAS1R3TAS1R1TAS1R2
SCHEMBL9973081 0.89 CYP2C9 (0.50) EPHX2EPHX1TAS1R3TAS1R1TAS1R2
SCHEMBL8311723 0.88 EPHX2 (0.44) EPHX2EPHX1TAS1R3TAS1R1TAS1R2
SCHEMBL21376363 0.83 CYP2C9 (0.56) EPHX2EPHX1ALDH1A1CYP2C9CYP2C19
SCHEMBL3068813 0.83 EPHX1 (0.76) EPHX2EPHX1TAS1R3TAS1R1TAS1R2
SCHEMBL3071717 0.83 EPHX2 (0.61) EPHX2EPHX1TAS1R3TAS1R1TAS1R2
SCHEMBL6234506 0.81 EPHX2 (0.51) EPHX2EPHX1TAS1R3TAS1R1TAS1R2
SCHEMBL4461499 0.81 EPHX2 (0.59) EPHX2EPHX1TAS1R3TAS1R1TAS1R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464317-B1 AMINOSTEROID DERIVATIVES AND PROCESS FOR PRODUCING SAME UNIV LAVAL (CA) 2023-04-26 EP disclosed
US-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-03-07 US disclosed
US-20210387986-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-12-16 US disclosed
US-11174282-B2 Aminosteroid derivatives and process for producing same UNIVERSITé LAVAL (CA) 2021-11-16 US disclosed
WO-2019178248-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-09-19 WO disclosed
WO-2017205964-A1 AMINOSTEROID DERIVATIVES AND PROCESS FOR PRODUCING SAME UNIVERSITé LAVAL (CA) 2017-12-07 WO disclosed
US-9539274-B2 Methods, compositions, and formulations for preventing or reducing adverse effects in a patient PERICOR THERAPEUTICS, INC. (US) 2017-01-10 US disclosed
US-9539274-B2 Methods, compositions, and formulations for preventing or reducing adverse effects in a patient PERICOR THERAPEUTICS, INC. (US) 2017-01-10 US disclosed
US-20150272978-A1 METHODS, COMPOSITIONS, AND FORMULATIONS FOR PREVENTING OR REDUCING ADVERSE EFFECTS IN A PATIENT PERICOR THERAPEUTICS, INC. 2015-10-01 US disclosed
US-20150272978-A1 METHODS, COMPOSITIONS, AND FORMULATIONS FOR PREVENTING OR REDUCING ADVERSE EFFECTS IN A PATIENT PERICOR THERAPEUTICS, INC. 2015-10-01 US disclosed
JP-2007014251-A DNA ASSOCIATED WITH HYDROLYSIS OF NORBORNANE DERIVATIVE MERCIAN CORP 2007-01-25 JP disclosed
US-20070021351-A1 Liver/plasma concentration ratio for dosing hepatitis C virus protease inhibitor SCHERING CORPORATION 2007-01-25 US disclosed
US-20070004635-A1 Method of treating interferon non-responders using HCV protease inhibitor SCHERING CORPORATION 2007-01-04 US disclosed
EP-1163194-B1 SELECTIVE NITROGEN FUNCTIONALISATION OF ORGANIC COMPOUNDS F2 CHEMICALS LTD (GB) 2003-04-09 EP disclosed
US-6441232-B1 PREFERENTIAL FLUORINATION F2 CHEMICALS LTD. (GB) 2002-08-27 US disclosed
EP-1163194-A1 SELECTIVE NITROGEN FUNCTIONALISATION OF ORGANIC COMPOUNDS F2 Chemicals Limited (GB) 2001-12-19 EP disclosed
WO-2001053234-A1 SELECTIVE NITROGEN FUNCTIONALISATION OF ORGANIC COMPOUNDS F2 CHEMICALS LIMITED (GB) 2001-07-26 WO disclosed
US-5624941-A Pyrazole derivatives, method of preparing them and pharmaceutical compositions in which they are present SANOFI (FR) 1997-04-29 US disclosed
EP-0576357-B1 Pyrazole derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1997-03-05 EP disclosed
EP-0576357-A1 Pyrazole derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1993-12-29 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 (6 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-20150272978-A1 METHODS, COMPOSITIONS, AND FORMULATIONS FOR PREVENTING OR REDUCING ADVERSE EFFECTS IN A PATIENT TNNC1, ASAH2, PGF EPHX2 332/4885EPHX1 431/4885TAS1R3 4823/4885
US-20070004635-A1 Method of treating interferon non-responders using HCV protease inhibitor IFNAR1, IFNG, IRF3 EPHX2 2887/4885EPHX1 2249/4885TAS1R3 3583/4885
US-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use ITGB1, ITGB2, ITGA2 EPHX2 1146/4885EPHX1 1194/4885TAS1R3 943/4885
US-20210387986-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE ITGB1, ITGB2, ITGA2 EPHX2 1146/4885EPHX1 1194/4885TAS1R3 943/4885
US-20070021351-A1 Liver/plasma concentration ratio for dosing hepatitis C virus protease inhibitor PYGL, SERPINB1, PREP EPHX2 3392/4885EPHX1 2276/4885TAS1R3 4640/4885
US-11174282-B2 Aminosteroid derivatives and process for producing same HSD17B11, HSD17B7, CYP19A1 EPHX2 2815/4885EPHX1 2865/4885TAS1R3 4258/4885

“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.