SCHEMBL1444435

SCHEMBL1444435

CC(C)(C)c1cccc(S(=O)(=O)n2c(Cc3ccc(Br)cc3F)cc3cc(C(F)(F)F)ccc32)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 9/20 0.48
▸ PPARA Q07869 8/20 0.48
▸ PPARD Q03181 7/20 0.48
▸ HTR6 P50406 2/20 0.43
▸ ACLY P53396 1/20 0.40
▸ RORC P51449 3/20 0.37
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ DDR1 Q08345 1/20 0.35
▸ GLA P06280 1/20 0.35

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
SCHEMBL12096748 0.87 PPARG (0.52) PPARGPPARAPPARDACLYRORC
SCHEMBL12096728 0.83 PPARG (0.53) PPARGPPARAPPARDHTR6RORC
SCHEMBL12096790 0.82 PPARG (0.49) PPARGPPARAPPARDRORC
SCHEMBL18580379 0.82 PPARG (0.56) PPARGPPARAPPARDHTR6RORC
SCHEMBL12096616 0.82 PPARG (0.52) PPARGPPARAPPARDACLYRORC
SCHEMBL12096637 0.81 PPARG (0.56) PPARGPPARAPPARDHTR6RORC
SCHEMBL12096692 0.80 PPARG (0.52) PPARGPPARAPPARDRORC
SCHEMBL12096773 0.80 PPARG (0.52) PPARGPPARAPPARDACLYRORC
SCHEMBL12096855 0.79 PPARG (0.56) PPARGPPARAPPARDACLYRORC
SCHEMBL1444242 0.79 HTR6 (0.42) PPARGPPARAPPARDHTR6ACLY

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 3 patents. 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
EP-2475642-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 S.A. (FR) 2012-07-18 — — EP disclosed
WO-2011030068-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) 2011-03-17 — — 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-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.

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