SCHEMBL2240939

SCHEMBL2240939

CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@H](c2ccccc2)[C@H](N)c2ccccc2)c(C(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.47
FABP3 P05413 1/20 0.44
FABP4 P15090 1/20 0.44
FABP5 Q01469 1/20 0.44
PLAU P00749 12/20 0.43
PLAT P00750 4/20 0.43
F10 P00742 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 1/20 0.42
HDAC1 Q13547 1/20 0.42
ST14 Q9Y5Y6 2/20 0.39
HPN P05981 1/20 0.39
HGFAC Q04756 1/20 0.39
PDE4B Q07343 1/20 0.39
PLG P00747 8/20 0.39
F2 P00734 1/20 0.38

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
SCHEMBL15364299 1.00 NR3C1 (0.47) NR3C1FABP3FABP4FABP5PLAU
SCHEMBL19400681 1.00 NR3C1 (0.47) NR3C1FABP3FABP4FABP5PLAU
SCHEMBL15841579 1.00 NR3C1 (0.47) NR3C1FABP3FABP4FABP5PLAU
SCHEMBL15043438 1.00 NR3C1 (0.47) NR3C1FABP3FABP4FABP5PLAU
SCHEMBL810279 1.00 NR3C1 (0.47) NR3C1FABP3FABP4FABP5PLAU
SCHEMBL15364300 1.00 NR3C1 (0.47) NR3C1FABP3FABP4FABP5PLAU
SCHEMBL17617915 1.00 NR3C1 (0.47) NR3C1FABP3FABP4FABP5PLAU
Benzene SCHEMBL4859250 0.99 NR3C1 (0.46) NR3C1FABP3FABP4FABP5PLAU
Benzene SCHEMBL4859285 0.99 NR3C1 (0.46) NR3C1FABP3FABP4FABP5PLAU
Hexamethylbenzene SCHEMBL4855077 0.95 NR3C1 (0.44) NR3C1FABP3FABP4FABP5PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130237708-A1 Optically Active Cyclic Alcohol Compound And Method For Preparing The Same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-09-12 US claimed
EP-1944291-B1 Optically active cyclic alcohol compound and method for producing same MITSUBISHI TANABE PHARMA CORP (JP) 2012-06-13 EP claimed
US-20100152451-A1 OPTICALLY ACTIVE CYCLIC ALCOHOL COMPOUND AND METHOD FOR PREPARING THE SAME MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-06-17 US claimed
EP-1944291-A1 OPTICALLY ACTIVE CYCLIC ALCOHOL COMPOUND AND METHOD FOR PRODUCING SAME Mitsubishi Tanabe Pharma Corporation (JP) 2008-07-16 EP claimed
US-20230398529-A1 ASYMMETRIC TRANSFER HYDROGENATION OF 2-ARYL SUBSTITUTED BICYCLIC PYRIDINE KETONES IN PRESENCE OF A CHIRAL RUTHENIUM CATALYST BAYER AKTIENGESELLSCHAFT (DE) 2023-12-14 US disclosed
EP-3194364-B1 METHODS FOR PREPARATION OF AMINE COMPOUNDS AND INTERMEDIATES THEREOF JOHNSON MATTHEY PLC (GB) 2020-11-04 EP disclosed
EP-2773611-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE -HYDROXY- -AMINOCARBOXYLIC ACID ESTER TAKASAGO PERFUMERY CO LTD (JP) 2017-01-11 EP disclosed
US-20160002142-A1 PHENYLGLYOXYLIC ACID DERIVATIVES AND THEIR PREPARATION AND USE TRANSTECH PHARMA, INC. 2016-01-07 US disclosed
US-9162963-B2 Phenylglyoxylic acid derivatives and their preparation and use VTV THERAPEUTICS LLC (US) 2015-10-20 US disclosed
US-20140296562-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE BETA-HYDROXY-ALPHA-AMINOCARBOXYLIC ACID ESTER TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-10-02 US disclosed
US-20140296562-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE BETA-HYDROXY-ALPHA-AMINOCARBOXYLIC ACID ESTER TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-10-02 US disclosed
US-8754221-B2 Optically active cyclic alcohol compound and method for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-06-17 US disclosed
WO-2013065867-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE β-HYDROXY-α-AMINOCARBOXYLIC ACID ESTER TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-05-10 WO disclosed
EP-1944291-B1 Optically active cyclic alcohol compound and method for producing same MITSUBISHI TANABE PHARMA CORP (JP) 2012-06-13 EP disclosed
EP-2371820-A1 Optically active cyclic alcohol compound and method for preparing the same Mitsubishi Tanabe Pharma Corporation (JP) 2011-10-05 EP disclosed
US-20110196157-A1 OPTICALLY ACTIVE CYCLIC ALCOHOL COMPOUND AND METHOD FOR PREPARING THE SAME MITSUBISHI TANABE PHARMA CORPORATION 2011-08-11 US disclosed
US-7989627-B2 Optically active cyclic alcohol compound and method for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-02 US disclosed
US-20100152451-A1 OPTICALLY ACTIVE CYCLIC ALCOHOL COMPOUND AND METHOD FOR PREPARING THE SAME MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-06-17 US disclosed
EP-1944291-A1 OPTICALLY ACTIVE CYCLIC ALCOHOL COMPOUND AND METHOD FOR PRODUCING SAME Mitsubishi Tanabe Pharma Corporation (JP) 2008-07-16 EP disclosed
US-20050101787-A1 Process for preparing optically active nitro compounds and cyano compounds KANTO KAGAKU KABUSHIKI KAISHA (JP) 2005-05-12 US 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 (7 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-20160002142-A1 PHENYLGLYOXYLIC ACID DERIVATIVES AND THEIR PREPARATION AND USE HPD, GRHPR, AGXT NR3C1 1719/4885FABP3 2694/4885FABP4 2067/4885
US-20140296562-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE BETA-HYDROXY-ALPHA-AMINOCARBOXYLIC ACID ESTER ALAD, AADAT, ALDH7A1 NR3C1 1651/4885FABP3 1169/4885FABP4 1155/4885
US-20230398529-A1 ASYMMETRIC TRANSFER HYDROGENATION OF 2-ARYL SUBSTITUTED BICYCLIC PYRIDINE KETONES IN PRESENCE OF A CHIRAL RUTHENIUM CATALYST ADH5, ADH1A, ADH1C NR3C1 3176/4885FABP3 3896/4885FABP4 3387/4885
US-20110196157-A1 OPTICALLY ACTIVE CYCLIC ALCOHOL COMPOUND AND METHOD FOR PREPARING THE SAME ADH1C, ADH1A, ADH5 NR3C1 1177/4885FABP3 3756/4885FABP4 2837/4885
US-20100152451-A1 OPTICALLY ACTIVE CYCLIC ALCOHOL COMPOUND AND METHOD FOR PREPARING THE SAME ADH1C, ADH1A, ADH5 NR3C1 1177/4885FABP3 3756/4885FABP4 2837/4885
US-20050101787-A1 Process for preparing optically active nitro compounds and cyano compounds NOS1, NOS2, NOX1 NR3C1 3425/4885FABP3 4821/4885FABP4 4828/4885
US-20130237708-A1 Optically Active Cyclic Alcohol Compound And Method For Preparing The Same ADH1C, ADH1A, ADH5 NR3C1 1177/4885FABP3 3756/4885FABP4 2837/4885

“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.