SCHEMBL17115758

SCHEMBL17115758

CC(C)c1cc(C(C)C)c(S(=O)(=O)NCCN)c(C(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 2/20 0.50
FABP3 P05413 1/20 0.50
FABP5 Q01469 1/20 0.50
GAA P10253 1/20 0.44
CYP3A4 P08684 1/20 0.44
TDP1 Q9NUW8 1/20 0.41
F10 P00742 7/20 0.41
NR3C1 P04150 1/20 0.41
HDAC1 Q13547 1/20 0.40
PLG P00747 9/20 0.39
PLAU P00749 9/20 0.39
F2 P00734 6/20 0.39
ST14 Q9Y5Y6 6/20 0.39
NPY5R Q15761 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PDE4B Q07343 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
SCHEMBL11440688 0.86 FABP4 (0.43) FABP4FABP3FABP5GAATDP1
SCHEMBL3684371 0.85 FABP4 (0.51) FABP4FABP3FABP5GAATDP1
SCHEMBL8602352 0.83 FABP4 (0.49) FABP4FABP3FABP5GAATDP1
SCHEMBL23052183 0.81 FABP4 (0.51) FABP4FABP3FABP5GAACYP3A4
SCHEMBL6323293 0.81 FABP4 (0.50) FABP4FABP3FABP5GAATDP1
SCHEMBL6020579 0.80 FABP4 (0.46) FABP4FABP3FABP5GAATDP1
SCHEMBL18553823 0.79 CA12 (0.48) FABP4FABP3FABP5GAATDP1
SCHEMBL675038 0.78 FABP4 (0.58) FABP4FABP3FABP5GAATDP1
SCHEMBL21922801 0.77 FABP4 (0.62) FABP4FABP3FABP5GAATDP1
SCHEMBL17611222 0.76 FABP3 (0.53) FABP4FABP3FABP5GAATDP1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10851126-B2 Complexes and methods for their preparation JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2020-12-01 US disclosed
US-10851126-B2 Complexes and methods for their preparation JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2020-12-01 US disclosed
EP-3194364-B1 METHODS FOR PREPARATION OF AMINE COMPOUNDS AND INTERMEDIATES THEREOF JOHNSON MATTHEY PLC (GB) 2020-11-04 EP disclosed
EP-3194364-B1 METHODS FOR PREPARATION OF AMINE COMPOUNDS AND INTERMEDIATES THEREOF JOHNSON MATTHEY PLC (GB) 2020-11-04 EP disclosed
CN-106715388-B Complex and preparation method thereof 庄信万丰股份有限公司 2020-01-03 CN disclosed
US-20170275317-A1 COMPLEXES AND METHODS FOR THEIR PREPARATION JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2017-09-28 US disclosed
US-20170275317-A1 COMPLEXES AND METHODS FOR THEIR PREPARATION JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2017-09-28 US disclosed
US-20170275317-A1 COMPLEXES AND METHODS FOR THEIR PREPARATION JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2017-09-28 US disclosed
EP-3194364-A1 COMPLEXES AND METHODS FOR THEIR PREPARATION Johnson Matthey Public Limited Company (GB) 2017-07-26 EP disclosed
WO-2016042298-A1 COMPLEXES AND METHODS FOR THEIR PREPARATION JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2016-03-24 WO disclosed
WO-2016042298-A1 COMPLEXES AND METHODS FOR THEIR PREPARATION JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2016-03-24 WO disclosed
WO-2015140575-A1 ENZYME DETECTION METHOD ATLAS GENETICS LIMITED (GB) 2015-09-24 WO 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 (2 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-20170275317-A1 COMPLEXES AND METHODS FOR THEIR PREPARATION CYCS, COX6C, SOD1 FABP4 2780/4885FABP3 1603/4885FABP5 926/4885
US-10851126-B2 Complexes and methods for their preparation CYCS, COX6C, SOD1 FABP4 2780/4885FABP3 1603/4885FABP5 926/4885

“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.