SCHEMBL18174876

SCHEMBL18174876

Cc1ccc([C@H](Oc2cccc(C(F)(F)F)c2)C(=O)O)cc1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.76
SLC22A12 Q96S37 1/20 0.54
PPARA Q07869 2/20 0.52
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
GAA P10253 3/20 0.46
SLC6A9 P48067 1/20 0.44
RAB9A P51151 1/20 0.44
AKR1C3 P42330 2/20 0.44
AKR1C2 P52895 2/20 0.44
P2RY1 P47900 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL18174878 1.00 PPARG (0.76) PPARGSLC22A12PPARAKEAP1NFE2L2
SCHEMBL18174877 1.00 PPARG (0.76) PPARGSLC22A12PPARAKEAP1NFE2L2
SCHEMBL4576498 0.90 PPARG (0.82) PPARGSLC22A12PPARAGAASLC6A9
SCHEMBL15267987 0.89 PPARG (0.61) PPARGSLC22A12PPARAKEAP1NFE2L2
SCHEMBL18174880 0.89 PPARG (0.61) PPARGSLC22A12PPARAKEAP1NFE2L2
SCHEMBL18174879 0.89 PPARG (0.61) PPARGSLC22A12PPARAKEAP1NFE2L2
SCHEMBL31053289 0.89 PPARG (0.80) PPARGSLC22A12PPARASLC6A9ALDH1A1
SCHEMBL5083539 0.89 PPARG (0.80) PPARGSLC22A12PPARASLC6A9ALDH1A1
SCHEMBL13374084 0.88 PPARG (0.60) PPARGSLC22A12PPARAKEAP1NFE2L2
Metaglidasen SCHEMBL14606136 0.86 PPARG (1.00) PPARGSLC22A12PPARASLC6A9P2RY1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160332950-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF UREA CYCLE DISORDERS AND GOUT ALAPATI MOHAN MURALI (IN) 2016-11-17 US disclosed
US-9475747-B1 Compositions and methods for the treatment of urea cycle disorders and gout ALAPATI MOHAN MURALI (IN) 2016-10-25 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-20160332950-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF UREA CYCLE DISORDERS AND GOUT SLC14A1, UMPS, UGT1A3 PPARG 1642/4885SLC22A12 155/4885PPARA 2920/4885

“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.