SCHEMBL2397842

SCHEMBL2397842

CCSc1ccc(Cl)c(C#N)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.49
MAOA P21397 8/20 0.49
AR P10275 5/20 0.43
VCAM1 P19320 1/20 0.41
DAO P14920 1/20 0.39
PGK1 P00558 1/20 0.38
PKM P14618 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
GLA P06280 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL1017994 0.86 DAO (0.51) MAOBMAOAARDAOKDM4E
SCHEMBL22620777 0.80 MAOB (0.47) MAOBMAOAARPKMKDM4E
SCHEMBL4875399 0.79 MAOA (0.46) MAOBMAOAVCAM1PGK1KDM4E
SCHEMBL15716156 0.79 MAOB (0.46) MAOBMAOAARPKMKDM4E
SCHEMBL27274267 0.79 MAOB (0.49) MAOBMAOAARDAOPKM
SCHEMBL15716232 0.79 MAOB (0.49) MAOBMAOAARPKMKDM4E
SCHEMBL14331581 0.77 MAOB (0.37) MAOBMAOAARDAOPGK1
SCHEMBL6496327 0.77 TP53 (0.44) MAOADAOCYP1A2CYP3A4MAPT
SCHEMBL1019266 0.76 AR (0.47) MAOBMAOAARPKMKDM4E
SCHEMBL13748266 0.75 MAOB (0.40) MAOBMAOAARDAOPGK1

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 MAOB 200/4885MAOA 170/4885AR 907/4885

“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.