SCHEMBL1331687

SCHEMBL1331687

CS(=O)(=O)c1ccc(Sc2cc(Cl)ccc2O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
ALDH1A1 P00352 2/20 0.56
CYP2C19 P33261 2/20 0.56
KMT2A Q03164 2/20 0.56
PLA2G1B P04054 1/20 0.56
HSP90AA1 P07900 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
HPGD P15428 1/20 0.56
ALOX15 P16050 1/20 0.56
HTT P42858 1/20 0.56
HIF1A Q16665 1/20 0.56
HSD17B10 Q99714 1/20 0.56
ATG4B Q9Y4P1 1/20 0.56
FAAH O00519 2/20 0.43
KCNH2 Q12809 2/20 0.43
AVPR2 P30518 1/20 0.42
GPR27 Q9NS67 1/20 0.42
ENPP2 Q13822 1/20 0.42

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
SCHEMBL1333647 0.85 ALDH1A1 (0.53) MEN1ALDH1A1CYP2C19KMT2APLA2G1B
SCHEMBL1332199 0.82 MEN1 (0.57) MEN1ALDH1A1CYP2C19KMT2APLA2G1B
SCHEMBL7679172 0.78 PTGS2 (0.56) ALDH1A1CYP3A4HPGDFAAHKCNH2
SCHEMBL1331640 0.75 PTGDR2 (0.60) PTGDR2
SCHEMBL28016921 0.75 HSD17B10 (0.70) MEN1ALDH1A1CYP2C19KMT2APLA2G1B
SCHEMBL1331691 0.74 TSHR (0.52) HTTPTGDR2
SCHEMBL1333478 0.74 PTGDR2 (0.45) MEN1CYP2C19KMT2ACYP3A4CYP2D6
SCHEMBL1333649 0.74 TSHR (0.52) HTTPTGDR2
SCHEMBL1331693 0.74 TSHR (0.52) HTTPTGDR2
Fenticlor SCHEMBL29729454 0.74 HSD17B10 (1.00) MEN1ALDH1A1CYP2C19KMT2APLA2G1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394986-B2 Phenoxiacetic acid derivatives ASTRAZENECA AB (GB) 2013-03-12 US disclosed
US-20110281898-A1 PHENOXIACETIC ACID DERIVATIVES ASTRAZENECA AB 2011-11-17 US disclosed
US-8003703-B2 Phenoxiacetic acid derivatives ASTRAZENECA AB (SE) 2011-08-23 US disclosed
EP-2305640-A2 Substituted diphenyl-ethers, -amines, -sulfides and -methanes for the treatment of respiratory diseases AstraZeneca AB (SE) 2011-04-06 EP disclosed
EP-1660431-B1 PHENOXYACETIC ACID DERIVATIVES ASTRAZENECA AB (SE) 2009-04-01 EP disclosed
CN-101374804-A Substituted diphenylethers, -amines, -sulfides and -methanes for the treatment of respiratory disease ASTRAZENECA AB (SE) 2009-02-25 CN disclosed
US-20080293775-A1 Substituted Diphenylethers, -Amines, -Sulfides and -Methanes for the Treatment of Respiratory Disease ASTRAZENECA AB (SE) 2008-11-27 US disclosed
EP-1963259-A2 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE AstraZeneca AB (SE) 2008-09-03 EP disclosed
WO-2007068894-A2 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2007-06-21 WO disclosed
US-20060293352-A1 Phenoxiacetic acid derivatives ASTRAZENECA AB (SE) 2006-12-28 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 (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-20060293352-A1 Phenoxiacetic acid derivatives HRH2, HRH1, HCAR2 MEN1 3996/4885ALDH1A1 616/4885CYP2C19 602/4885
US-20080293775-A1 Substituted Diphenylethers, -Amines, -Sulfides and -Methanes for the Treatment of Respiratory Disease PNMT, SQOR, SMS MEN1 973/4885ALDH1A1 1390/4885CYP2C19 140/4885
US-20110281898-A1 PHENOXIACETIC ACID DERIVATIVES HIF1A, HPD, HIF1AN MEN1 3563/4885ALDH1A1 550/4885CYP2C19 52/4885

“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.