SCHEMBL2393378

SCHEMBL2393378

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
PSIP1 O75475 2/20 0.42
PTGDR2 Q9Y5Y4 3/20 0.42
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36

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
SCHEMBL13601374 0.82 MAPK1 (0.48) GAAPSIP1PTGDR2ALDH1A1POLB
SCHEMBL708295 0.81 GAA (0.42) GAAPSIP1PTGDR2ALDH1A1POLB
SCHEMBL29678127 0.81 GAA (0.42) GAAPSIP1PTGDR2ALDH1A1POLB
SCHEMBL3424374 0.79 ALDH1A1 (0.46) GAAALDH1A1POLBCA12CA1
SCHEMBL7948250 0.78 GAA (0.44) GAAPSIP1PTGDR2ALDH1A1POLB
SCHEMBL7946206 0.78 FLT1 (0.44) GAAPSIP1PTGDR2ALDH1A1POLB
SCHEMBL9806947 0.77 CA1 (0.63) GAAPSIP1PTGDR2ALDH1A1POLB
SCHEMBL2397432 0.77 ALDH1A1 (0.51) GAAPSIP1PTGDR2ALDH1A1POLB
SCHEMBL585199 0.77 PTGS2 (0.49) PTGDR2ALDH1A1
SCHEMBL4638358 0.76 PTGS2 (0.42) PTGDR2ALDH1A1

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 GAA 359/4885PSIP1 4842/4885PTGDR2 176/4885

“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.