SCHEMBL4876608

SCHEMBL4876608

CCS(=O)(=O)c1ccc(Oc2cc(F)ccc2N)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
BRD4 O60885 6/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
SLC6A4 P31645 1/20 0.40
EPAS1 Q99814 1/20 0.40
PTGDR2 Q9Y5Y4 4/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL2393406 0.87 PTGDR2 (0.49) ALDH1A1SLC6A2SLC6A3PTGDR2CA12
SCHEMBL2395063 0.87 PTGS2 (0.44) BRD4SLC6A2SLC6A3SLC6A4EPAS1
SCHEMBL3927504 0.86 ALDH1A1 (0.42) ALDH1A1BRD4SLC6A2SLC6A3SLC6A4
SCHEMBL3927507 0.85 ALDH1A1 (0.44) ALDH1A1BRD4SLC6A2SLC6A3SLC6A4
SCHEMBL1333681 0.80 PTGDR2 (0.59) PTGDR2
SCHEMBL28797001 0.78 PTGDR2 (0.46) ALDH1A1BRD4PTGDR2
SCHEMBL2397760 0.78 PTGDR2 (0.44) ALDH1A1SLC6A2SLC6A3SLC6A4PTGDR2
SCHEMBL2394830 0.77 PTGDR2 (0.46) ALDH1A1BRD4SLC6A2SLC6A3PTGDR2
SCHEMBL28360593 0.76 TTR (0.50) ALDH1A1SLC6A2SLC6A3SLC6A4HPGD
SCHEMBL4637511 0.76 PTGDR2 (0.40) ALDH1A1BRD4SLC6A2SLC6A3EPAS1

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 6 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-20080114002-A1 Substituted Acids for the Treatment of Respiratory Diseases ASTRAZENECA AB (SE) 2008-05-15 US 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 1551/4885BRD4 3732/4885SLC6A2 1555/4885

“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.