SCHEMBL17173648

SCHEMBL17173648

CC(C)(C)c1ncc(S(C)(=O)=O)cc1N1CCC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.37
LRRK2 Q5S007 2/20 0.36
SCN10A Q9Y5Y9 1/20 0.34
KIF18A Q8NI77 2/20 0.34
SLC6A9 P48067 1/20 0.33
PLA2G7 Q13093 1/20 0.32
MGLL Q99685 1/20 0.32
ABHD6 Q9BV23 1/20 0.32
BRPF1 P55201 1/20 0.32
SLC9A1 P19634 1/20 0.32
POLB P06746 1/20 0.32
CAMK1D Q8IU85 1/20 0.32
PTGS1 P23219 1/20 0.32
GPR119 Q8TDV5 3/20 0.32

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
SCHEMBL21089016 0.89 PTGS2 (0.35) PTGS2LRRK2SCN10AKIF18ASLC6A9
SCHEMBL17173638 0.71 ALDH1A1 (0.45) PTGS2LRRK2PTGS1
SCHEMBL17173636 0.70 PTGS2 (0.36) PTGS2PTGS1
SCHEMBL17173651 0.68 LRRK2 (0.38) LRRK2
SCHEMBL17173657 0.68 LOXL2 (0.31) PTGS2
SCHEMBL17173655 0.67 HTT (0.38) PTGS2POLBPTGS1
SCHEMBL20389083 0.65 CHRNB2 (0.38)
SCHEMBL17177771 0.65 PDE10A (0.33) PTGS2KIF18AGPR119
SCHEMBL17196470 0.63 CNR2 (0.33) KIF18AGPR119
SCHEMBL23314218 0.62 ALDH1A1 (0.33) PTGS2GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9926302-B2 Heteroaryl substituted heterocyclyl sulfones Grünenthal GmbH (DE) 2018-03-27 US disclosed
US-9879000-B2 Heteroaryl substituted heterocyclyl sulfones Grünenthal GmbH (DE) 2018-01-30 US disclosed
US-20170121314-A1 HETEROARYL SUBSTITUTED HETEROCYCLYL SULFONES Grünenthal GmbH (DE) 2017-05-04 US disclosed
US-20170121314-A1 HETEROARYL SUBSTITUTED HETEROCYCLYL SULFONES Grünenthal GmbH (DE) 2017-05-04 US disclosed
US-20150291572-A1 HETEROARYL SUBSTITUTED HETEROCYCLYL SULFONES Grünenthal GmbH (DE) 2015-10-15 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 (2 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-20170121314-A1 HETEROARYL SUBSTITUTED HETEROCYCLYL SULFONES TRPV1, CACNA1B, CACNA1C PTGS2 320/4885LRRK2 1212/4885SCN10A 53/4885
US-20150291572-A1 HETEROARYL SUBSTITUTED HETEROCYCLYL SULFONES TRPV1, CACNA1B, CACNA1C PTGS2 320/4885LRRK2 1212/4885SCN10A 53/4885

“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.