SCHEMBL12096891

SCHEMBL12096891

CC(C)(C)c1cccc(S(=O)(=O)n2c(C(O)c3ccc(C(=O)O)cc3)cc3cc(C(F)(F)F)ccc32)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 9/20 0.45
▸ PPARA Q07869 7/20 0.45
▸ PPARD Q03181 6/20 0.45
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SRD5A2 P31213 1/20 0.40
▸ RORC P51449 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ GALK1 P51570 1/20 0.38
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ CPT2 P23786 1/20 0.37
▸ CPT1A P50416 1/20 0.37
▸ CPT1B Q92523 1/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ACLY P53396 1/20 0.37

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
SCHEMBL12096645 0.95 RXRA (0.41) PPARGPPARAPPARDSRD5A2RXRA
SCHEMBL12096606 0.91 PPARG (0.45) PPARGPPARAPPARDTP53MAPT
SCHEMBL12096659 0.91 PPARG (0.45) PPARGPPARAPPARDTP53MAPT
SCHEMBL12096605 0.91 PPARG (0.45) PPARGPPARAPPARDTP53MAPT
SCHEMBL12096771 0.89 PPARG (0.45) PPARGPPARAPPARDTP53MAPT
SCHEMBL12096719 0.89 PPARG (0.41) PPARGPPARAPPARDRXRARXRB
SCHEMBL12096871 0.88 ACLY (0.39) PPARGPPARARXRARXRBHDAC3
SCHEMBL12096627 0.88 RECQL (0.47) PPARGTP53MAPTLMNARXRA
SCHEMBL12096853 0.87 RECQL (0.43) PPARGPPARAPPARDTP53MAPT
SCHEMBL12096625 0.86 PPARG (0.42) PPARGPPARAPPARDTP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120232070-A1 Use of Indole Derivatives as Nurr-1 Activators for the Application Thereof as a Medicament for the Treatment of Parkinson's Disease LABORATOIRES FOURNIER SA (FR) 2012-09-13 — — 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-20120232070-A1 Use of Indole Derivatives as Nurr-1 Activators for the Application Thereof as a Medicament for the Treatment of Parkinson's Disease NCOR1, NR0B1, MTNR1A PPARG 423/4885PPARA 564/4885PPARD 302/4885

“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.

Send feedback