SCHEMBL2392684

SCHEMBL2392684

CCS(=O)(=O)c1ccc(Cl)c(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.47
RORC P51449 8/20 0.44
ACLY P53396 2/20 0.43
SLC22A12 Q96S37 3/20 0.43
PTGDR2 Q9Y5Y4 3/20 0.41
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
APAF1 O14727 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 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
SCHEMBL29297726 0.87 THRB (0.43) VCAM1ACLYSLC22A12PTGDR2ALDH1A1
SCHEMBL29297728 0.83 VCAM1 (0.42) VCAM1RORCACLYSLC22A12PTGDR2
SCHEMBL4195364 0.82 EPAS1 (0.51) VCAM1ACLYSLC22A12PTGDR2ALDH1A1
SCHEMBL15867027 0.82 VCAM1 (0.53) VCAM1ACLYSLC22A12PTGDR2ALDH1A1
SCHEMBL30863565 0.81 PTGDR2 (0.45) RORCPTGDR2GAAALDH1A1MAPT
SCHEMBL15806065 0.81 PTGDR2 (0.45) RORCPTGDR2GAAALDH1A1MAPT
SCHEMBL1939729 0.80 VCAM1 (0.51) VCAM1ACLYSLC22A12PTGDR2ALDH1A1
SCHEMBL15794073 0.79 GAA (0.39) RORCPTGDR2GAAALDH1A1
SCHEMBL3246788 0.79 GABRA2 (0.45) RORCACLYSLC22A12PTGDR2GAA
SCHEMBL13601374 0.77 MAPK1 (0.48) PTGDR2GAAALDH1A1POLBMAPT

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
EP-1765768-B1 SUBSTITUTED ACIDS FOR THE TREATMENT OF RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2013-11-06 EP disclosed
CN-101326161-B Novel compounds ASTRAZENECA AB 2013-04-17 CN disclosed
CN-102557971-A Substituted acids for the treatment of respiratory diseases ASTRAZENECA AB 2012-07-11 CN disclosed
CN-101014564-B Substituted acids for the treatment of respiratory diseases ASTRAZENECA AB 2012-05-09 CN disclosed
US-8022248-B2 3-[2-(3-Cyanophenoxy)-4-(trifluoromethyl)phenyl]propanoic acid;prostaglandin D2 inhibitor, orphan receptor CRTH2 antagonist; antiinflammatory, analgesic, antipyretic; respiratory system disorders: asthma and rhinitis; coupling amino/thio-phenyl derivatives with ester followed by hydrolysis to acid ASTRAZENECA AB (SE) 2011-09-20 US disclosed
US-20090192163-A1 Novel Compounds ASTRAZENECA AB (SE) 2009-07-30 US disclosed
CN-101326161-A Novel compounds ASTRAZENECA AB (SE) 2008-12-17 CN disclosed
EP-1937632-A1 NOVEL COMPOUNDS Astra Zeneca AB (SE) 2008-07-02 EP disclosed
US-20080114002-A1 Substituted Acids for the Treatment of Respiratory Diseases ASTRAZENECA AB (SE) 2008-05-15 US disclosed
CN-101014564-A Substituted acids for the treatment of respiratory diseases ASTRAZENECA AB (SE) 2007-08-08 CN disclosed
WO-2007039736-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2007-04-12 WO disclosed
EP-1765768-A1 SUBSTITUTED ACIDS FOR THE TREATMENT OF RESPIRATORY DISEASES AstraZeneca AB (SE) 2007-03-28 EP disclosed
WO-2006005909-A1 SUBSTITUTED ACIDS FOR THE TREATMENT OF RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2006-01-19 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-20080114002-A1 Substituted Acids for the Treatment of Respiratory Diseases HRH2, HRH1, HRH4 VCAM1 4075/4885RORC 58/4885ACLY 309/4885
US-20090192163-A1 Novel Compounds PAH, PC, DDC VCAM1 3354/4885RORC 328/4885ACLY 613/4885

“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.