SCHEMBL2398375

SCHEMBL2398375

CCOC(=O)CNc1ccc(Cl)cc1Oc1ccc(C(F)(F)F)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.43
HTR2A P28223 4/20 0.41
SLC6A4 P31645 4/20 0.41
KCNH2 Q12809 4/20 0.41
CCR2 P41597 1/20 0.41
GAA P10253 3/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 2/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 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
SCHEMBL2393557 0.86 HTR2A (0.42) HTR2ASLC6A4KCNH2CCR2GAA
SCHEMBL2395176 0.78 LMNA (0.45) L3MBTL1POLBCCR2GAAMAPT
SCHEMBL2394415 0.77 CCR2 (0.45) L3MBTL1POLBSLC6A4KCNH2CCR2
SCHEMBL24460021 0.76 ALDH1A1 (0.56) POLBGAAMAPTALDH1A1HPGD
SCHEMBL2395020 0.74 GAA (0.43) L3MBTL1POLBSLC6A4GAAMAPT
SCHEMBL2394982 0.74 PTGDR2 (0.44) HTR2ASLC6A4KCNH2CCR2RHEB
SCHEMBL5205860 0.72 PPARG (0.42) GAATSHRHTTSMN1; SMN2
SCHEMBL1503919 0.72 NPSR1 (0.59) L3MBTL1POLBGAAMAPTALDH1A1
SCHEMBL2393320 0.72 PTGDR2 (0.47) L3MBTL1POLBCCR2GAAMAPT
SCHEMBL10956101 0.72 L3MBTL1 (0.62) L3MBTL1POLBGAAMAPTALDH1A1

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 3 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

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 L3MBTL1 4013/4885POLB 2888/4885HTR2A 298/4885

“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.