SCHEMBL2396764

SCHEMBL2396764

CCS(=O)(=O)c1ccc(Sc2cc(Cl)ccc2[N+](=O)[O-])c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 10/20 0.51
PDE7B Q9NP56 3/20 0.51
IDO1 P14902 1/20 0.50
USP7 Q93009 3/20 0.47
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
USP47 Q96K76 1/20 0.45
MAPK1 P28482 2/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CCR2 P41597 1/20 0.41

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
SCHEMBL2395796 0.81 PDE7A (0.45) PDE7ALMNAKMT2AALDH1A1MAPT
SCHEMBL1331620 0.81 ALDH1A1 (0.54) LMNAKMT2AALDH1A1HTTMAPT
SCHEMBL2396187 0.76 PTGDR2 (0.50) LMNAKMT2AALDH1A1MAPT
SCHEMBL2398612 0.75 PTGDR2 (0.46) PDE7ALMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL28767806 0.75 PTGDR2 (0.44) USP7LMNAKMT2AALDH1A1HTT
SCHEMBL9535431 0.73 USP7 (0.60) PDE7APDE7BIDO1USP7LMNA
SCHEMBL2777612 0.73 PDE7A (0.55) PDE7APDE7BLMNAKMT2AALDH1A1
SCHEMBL3209835 0.73 VCAM1 (0.68) ALDH1A1
SCHEMBL1333432 0.73 PTGDR2 (0.67) TSHRTDP1
SCHEMBL2395258 0.73 PTGDR2 (0.43) LMNAKMT2AALDH1A1HTTMAPT

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 5 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
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
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 PDE7A 2343/4885PDE7B 1575/4885IDO1 838/4885

“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.