SCHEMBL2396538

SCHEMBL2396538

O=C(O)CCc1ccc(Cl)cc1S

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.46
FFAR4 Q5NUL3 2/20 0.46
HDAC6 Q9UBN7 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GPR17 Q13304 2/20 0.43
PDPK1 O15530 1/20 0.42
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
ACLY P53396 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
GFER P55789 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
SCHEMBL30567601 0.81 PDPK1 (0.59) FFAR1GPR17PDPK1ACLYALDH1A1
SCHEMBL586345 0.81 PDPK1 (0.59) FFAR1GPR17PDPK1ACLYALDH1A1
Rubidium SCHEMBL38661227 0.80 KEAP1 (0.49) ALDH1A1MAPT
SCHEMBL2392851 0.80 POLB (0.58) FFAR1FFAR4HDAC6NPSR1GPR17
SCHEMBL31155820 0.80 POLB (0.58) FFAR1FFAR4HDAC6NPSR1GPR17
SCHEMBL15287093 0.79 THRA (0.47) FFAR1FFAR4HDAC6NPSR1GPR17
SCHEMBL8359383 0.79 FFAR1 (0.64) FFAR1FFAR4POLB
SCHEMBL10745896 0.79 NPSR1 (0.63) FFAR1FFAR4HDAC6NPSR1POLB
SCHEMBL5429266 0.79 FFAR1 (0.49) FFAR1FFAR4HDAC6NPSR1GPR17
SCHEMBL15532382 0.78 POLQ (0.52) FFAR1FFAR4HDAC6NPSR1

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 FFAR1 23/4885FFAR4 133/4885HDAC6 1264/4885

“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.