SCHEMBL2397432

SCHEMBL2397432

CCS(=O)(=O)c1ccc(O)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
POLB P06746 2/20 0.51
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.45
HSD17B3 P37058 1/20 0.44
HSD17B2 P37059 1/20 0.44
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL11663852 0.85 PTGS1 (0.47) ALDH1A1POLBPTGS1PTGS2MAPT
SCHEMBL31568132 0.82 PTGS1 (0.43) ALDH1A1POLBPTGS1PTGS2HSP90AA1
SCHEMBL13601374 0.82 MAPK1 (0.48) ALDH1A1POLBMAPTPTGDR2MEN1
SCHEMBL2110294 0.81 PTGDR2 (0.62) ALDH1A1POLBKDM4EMAPTPTGDR2
SCHEMBL29159274 0.80 TDP1 (0.49) ALDH1A1POLBKDM4EMAPTTDP1
SCHEMBL1577287 0.80 LMNA (0.55) ALDH1A1PTGS1PTGS2MAPTHSD17B3
SCHEMBL29598983 0.79 GAA (0.57) ALDH1A1POLBPTGS1PTGS2MAPT
SCHEMBL68932 0.79 GAA (0.57) ALDH1A1POLBPTGS1PTGS2MAPT
SCHEMBL9341624 0.79 GAA (0.57) ALDH1A1POLBPTGS1PTGS2MAPT
SCHEMBL7948250 0.78 GAA (0.44) ALDH1A1POLBMAPTCYP1A2CYP2D6

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 8 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-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-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
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 (1 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 ALDH1A1 1551/4885POLB 2888/4885PTGS1 231/4885

“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.