SCHEMBL2410263

SCHEMBL2410263

Cc1ccc(S(=O)(=O)OCCCOC2CCCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
ENPP3 O14638 2/20 0.41
ENPP1 P22413 2/20 0.41
ENPP2 Q13822 2/20 0.41
CYP2D6 P10635 2/20 0.40
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 2/20 0.38
PKM P14618 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CYP1A2 P05177 1/20 0.38
CASP3 P42574 1/20 0.38
CASP7 P55210 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
SCHEMBL20129169 0.96 ALDH1A1 (0.42) ALDH1A1CYP3A4TSHRENPP3ENPP1
SCHEMBL15103285 0.93 CYP2D6 (0.43) ALDH1A1CYP3A4TSHRCYP2D6CYP1A2
SCHEMBL11171926 0.91 ALDH1A1 (0.45) ALDH1A1CYP3A4TSHRENPP3ENPP1
SCHEMBL7215095 0.90 ALDH1A1 (0.43) ALDH1A1CYP3A4TSHRENPP3ENPP1
SCHEMBL3004965 0.86 CA12 (0.39) ALDH1A1CYP3A4CYP2D6PKMCYP1A2
SCHEMBL31662482 0.86 CA12 (0.39) ALDH1A1CYP3A4CYP2D6PKMCYP1A2
SCHEMBL11132015 0.83 ALDH1A1 (0.41) ALDH1A1CYP3A4TSHRENPP3ENPP1
SCHEMBL499873 0.83 CYP2D6 (0.44) ALDH1A1CYP3A4TSHRENPP3ENPP1
SCHEMBL20129163 0.83 ALDH1A1 (0.41) ALDH1A1CYP3A4TSHRENPP3ENPP1
SCHEMBL483847 0.83 ALDH1A1 (0.50) ALDH1A1CYP3A4CYP2D6PKMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8026370-B2 Peroxisome proliferator antagonist; hyperlipemia agents; arteriosclerosis; antiischemic agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-27 US disclosed
US-8026370-B2 Peroxisome proliferator antagonist; hyperlipemia agents; arteriosclerosis; antiischemic agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-27 US disclosed
US-8026370-B2 Peroxisome proliferator antagonist; hyperlipemia agents; arteriosclerosis; antiischemic agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-27 US disclosed
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20080167307-A1 Carboxylic Acid Derivative Containing Thiazole Ring and Pharmaceutical Use Thereof MITSUBISHI PHAMA CORPORATION (JP) 2008-07-10 US disclosed
US-20080167307-A1 Carboxylic Acid Derivative Containing Thiazole Ring and Pharmaceutical Use Thereof MITSUBISHI PHAMA CORPORATION (JP) 2008-07-10 US disclosed
EP-1816128-A1 CARBOXYLIC ACID DERIVATIVE CONTAINING THIAZOLE RING AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2007-08-08 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 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 (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-20080167307-A1 Carboxylic Acid Derivative Containing Thiazole Ring and Pharmaceutical Use Thereof PPARA, PPARD, PPARG ALDH1A1 175/4885CYP3A4 190/4885TSHR 630/4885
US-20090012055-A1 Organic compounds REN, ACE, ACE2 ALDH1A1 142/4885CYP3A4 29/4885TSHR 3211/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 ALDH1A1 142/4885CYP3A4 29/4885TSHR 3211/4885

“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.