SCHEMBL810279

SCHEMBL810279

CC(C)c1cc(C(C)C)c(S(=O)(=O)NC(c2ccccc2)C(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
SCHEMBL2240939 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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2868659-B1 Method for producing optically active naphthalene compound MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-04 EP claimed
US-9181217-B2 Method for producing optically active naphthalene compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-11-10 US claimed
US-20150152082-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE NAPHTHALENE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-06-04 US claimed
EP-2868659-A1 Method for producing optically active naphthalene compound Mitsubishi Tanabe Pharma Corporation (JP) 2015-05-06 EP claimed
EP-2749558-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE NAPHTHALENE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2014-07-02 EP claimed
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
EP-2399895-B1 Process for producing optically active aliphatic fluoroalcohol KANTO KAGAKU (JP) 2018-08-08 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-9468919-B2 Ruthenium-diamine complexes and method for producing optically active compounds TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-10-18 US disclosed
EP-2868659-B1 Method for producing optically active naphthalene compound MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-04 EP disclosed
US-20160067696-A1 RUTHENIUM-DIAMINE COMPLEXES AND METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUNDS TAKASAGO PERFUMERY CO LTD (JP) 2016-03-10 US disclosed
US-20050107621-A1 3-Hydroxy-3-(2-thienyl) propionamides and production method thereof, and production method of 3-amino-1-(2-thienyl)-1-propanols using the same MITSUBISHI CHEMICAL CORPORATION (JP) 2005-05-19 US disclosed
US-20050101787-A1 Process for preparing optically active nitro compounds and cyano compounds KANTO KAGAKU KABUSHIKI KAISHA (JP) 2005-05-12 US disclosed
EP-1486493-A1 3-HYDROXY-3-(2-THIENYL)PROPIONAMIDE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING 3-AMINO-1-(2-THIENYL)-1-PROPANOL COMPOUND THEREFROM Mitsubishi Chemical Corporation (JP) 2004-12-15 EP disclosed
US-6686505-B2 HYDROGENATION OF NITRO KETONE OR CYANO KETONE IN PRESENCE OF TRANSITION METAL COMPOUND CATALYST; AMINATION KANTO KAGUKU KABUSHIKI KAISHA (JP) 2004-02-03 US disclosed
US-20030171592-A1 Process for producing optically active amino alcohols and intermediates therefore KANTO KAGAKU KABUSHIKI KAISHA (JP) 2003-09-11 US disclosed
EP-1308435-A2 Process for producing optically active amino alcohols Kanto Kagaku Kabushiki Kaisha (JP) 2003-05-07 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 (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-20050107621-A1 3-Hydroxy-3-(2-thienyl) propionamides and production method thereof, and production method of 3-amino-1-(2-thienyl)-1-propanols using the same APEH, AADAC, KMO NR3C1 2924/4885FABP3 2834/4885FABP4 1724/4885
US-20030171592-A1 Process for producing optically active amino alcohols and intermediates therefore ADH1A, NOS1, ADH5 NR3C1 3605/4885FABP3 3021/4885FABP4 3918/4885
US-20150152082-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE NAPHTHALENE COMPOUND HRH1, HRH4, RB1 NR3C1 79/4885FABP3 4854/4885FABP4 4390/4885
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
US-20160067696-A1 RUTHENIUM-DIAMINE COMPLEXES AND METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUNDS ADH1A, ADH1C, ADH5 NR3C1 2628/4885FABP3 4843/4885FABP4 4668/4885

“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.