SCHEMBL18174879

SCHEMBL18174879

CC(=O)[C@@H](Oc1cccc(C(F)(F)F)c1)c1ccc(C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.61
SLC22A12 Q96S37 1/20 0.54
PPARA Q07869 1/20 0.46
RAB9A P51151 1/20 0.44
GAA P10253 2/20 0.43
P2RY1 P47900 1/20 0.43
NPSR1 Q6W5P4 4/20 0.42
ALDH1A1 P00352 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
KDM4E B2RXH2 1/20 0.42
FAAH O00519 1/20 0.42
SLC6A9 P48067 1/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
MAOB P27338 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL15267987 1.00 PPARG (0.61) PPARGSLC22A12PPARARAB9AGAA
SCHEMBL18174880 1.00 PPARG (0.61) PPARGSLC22A12PPARARAB9AGAA
SCHEMBL18174878 0.89 PPARG (0.76) PPARGSLC22A12PPARARAB9AGAA
SCHEMBL18174876 0.89 PPARG (0.76) PPARGSLC22A12PPARARAB9AGAA
SCHEMBL18174877 0.89 PPARG (0.76) PPARGSLC22A12PPARARAB9AGAA
SCHEMBL18174520 0.88 PPARG (0.79) PPARGSLC22A12PPARAP2RY1NPSR1
SCHEMBL18174524 0.88 PPARG (0.79) PPARGSLC22A12PPARAP2RY1NPSR1
SCHEMBL15267524 0.88 PPARG (0.79) PPARGSLC22A12PPARAP2RY1NPSR1
SCHEMBL16580101 0.80 PPARG (0.67) PPARGSLC22A12PPARARAB9AGAA
SCHEMBL4576498 0.79 PPARG (0.82) PPARGSLC22A12PPARAGAAALDH1A1

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.