SCHEMBL1444444

SCHEMBL1444444

CC(C)(C)c1cccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2I)c1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 3/20 0.44
CCR2 P41597 1/20 0.43
PTGES2 Q9H7Z7 6/20 0.42
CCR9 P51686 6/20 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
SCHEMBL12096791 0.80 HSD17B2 (0.46) HSD17B2CCR9
SCHEMBL2227371 0.79 AKT1 (0.45) HSD17B2CCR2CCR9
SCHEMBL16798528 0.78 CCR2 (0.43) HSD17B2CCR2PTGES2CCR9
SCHEMBL12096937 0.77 HSD17B2 (0.52) HSD17B2PTGES2
SCHEMBL12096762 0.76 PTGES2 (0.43) HSD17B2CCR2PTGES2
SCHEMBL1714365 0.75 MEN1 (0.53) HSD17B2CCR2PTGES2
SCHEMBL2225526 0.74 SLC40A1 (0.50) HSD17B2CCR2PTGES2
SCHEMBL13852821 0.73 PKM (0.56) HSD17B2CCR9
SCHEMBL12096829 0.72 MEN1 (0.53) HSD17B2CCR2PTGES2
SCHEMBL13852835 0.72 HSD17B2 (0.57) HSD17B2CCR2PTGES2

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 HSD17B2 2537/4885CCR2 729/4885PTGES2 2493/4885

“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.