SCHEMBL2064162

SCHEMBL2064162

COC(=O)C(C)c1ccc(C=O)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 1/20 0.48
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
SLC6A3 Q01959 3/20 0.42
ERN1 O75460 1/20 0.42
TYR P14679 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
HPGD P15428 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 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
SCHEMBL28897035 0.85 TDP1 (0.43) TDP1SLC6A3ERN1TYRSLC6A2
SCHEMBL2846109 0.83 TYR (0.63) MT-CO2PTGS1PTGS2TDP1ERN1
SCHEMBL1704578 0.83 PTGS1 (0.52) PTGS1PTGS2TDP1TYRPSEN1
SCHEMBL1626214 0.82 SLC6A3 (0.57) MT-CO2PTGS1PTGS2SLC6A3SLC6A2
SCHEMBL2063899 0.82 MT-CO2 (0.48) MT-CO2PTGS1PTGS2TYR
SCHEMBL9063569 0.80 MT-CO2 (0.55) MT-CO2PTGS1PTGS2SLC6A3HPGD
SCHEMBL17891807 0.80 MT-CO2 (0.55) MT-CO2PTGS1PTGS2TDP1SLC6A3
SCHEMBL7587589 0.79 ERN1 (0.48) MT-CO2PTGS1PTGS2TDP1ERN1
SCHEMBL10931210 0.78 MT-CO2 (0.47) MT-CO2PTGS1PTGS2TDP1SLC6A3
SCHEMBL17891802 0.78 MT-CO2 (0.47) MT-CO2PTGS1PTGS2SLC6A3PSEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2062884-B1 Phenylacetic acid derivatives and pharmaceutical composition thereof FUJI YAKUHIN CO LTD (JP) 2013-02-20 EP disclosed
US-8148421-B2 Phenylacetic acid derivative FUJI YAKUHIN CO., LTD. (JP) 2012-04-03 US disclosed
US-20100048666-A1 NOVEL PHENYLACETIC ACID DERIVATIVE FUJI YAKUHIN CO., LTD. (JP) 2010-02-25 US disclosed
EP-2062884-A1 NOVEL PHENYLACETIC ACID DERIVATIVE Fuji Yakuhin Co., Ltd. (JP) 2009-05-27 EP 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-20100048666-A1 NOVEL PHENYLACETIC ACID DERIVATIVE PTGS1, PTGER1, PTGDR MT-CO2 1076/4885PTGS1 1/4885PTGS2 7/4885

“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.