SCHEMBL2539925

SCHEMBL2539925

CC(C)S(=O)(=O)Nc1[c]cccc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.36
GRIA4 P48058 6/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
ACLY P53396 1/20 0.33
BRPF1 P55201 1/20 0.33
KEAP1 Q14145 1/20 0.32
KDM1A O60341 1/20 0.32
POLB P06746 1/20 0.32
PGR P06401 1/20 0.31
BRD4 O60885 1/20 0.31
MLKL Q8NB16 1/20 0.30
GRIA2 P42262 1/20 0.30

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
SCHEMBL8668452 0.82 MAPT (0.39) GRIA4L3MBTL1ALOX5APFEN1
SCHEMBL97872 0.80 KEAP1 (0.48) NR3C1L3MBTL1KEAP1PGR
SCHEMBL5387287 0.77 KEAP1 (0.32) L3MBTL1KEAP1
SCHEMBL2206469 0.77 PSIP1 (0.46) NR3C1L3MBTL1
SCHEMBL2989196 0.76 ACP1 (0.33) KEAP1
SCHEMBL16966402 0.76 ALDH1A1 (0.33) KEAP1
SCHEMBL9466731 0.76 CA1 (0.48)
SCHEMBL5400771 0.76 TSHR (0.46) POLB
SCHEMBL1761790 0.76 KEAP1 (0.31) KEAP1
SCHEMBL1607675 0.73 KEAP1 (0.53) KEAP1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1642898-B1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD KK (JP) 2013-03-27 EP disclosed
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
EP-2254879-A2 CHROMANE DERIVATIVES AS TRPV3 MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2010-12-01 EP disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 US disclosed
WO-2009084034-A2 CHROMANE DERIVATIVES AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS, S. A. (CH) 2009-07-09 WO disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 EP disclosed
US-20050014788-A1 Piperidine derivatives and their use as modulators of chemokine receptor activity (especially ccr5) ASTRAZENECA AB (SE) 2005-01-20 US disclosed
EP-1334087-A1 CYCLOALKYLFLUOROSULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2003-08-13 EP disclosed
EP-1265857-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-12-18 EP disclosed
WO-2002032858-A1 CYCLOALKYLFLUOROSULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-04-25 WO disclosed
WO-2001068592-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-09-20 WO disclosed
US-5750552-A ANTIULCER AGENTS ARAX CO., LTD. (JP) 1998-05-12 US disclosed
EP-0736527-A1 Imadazoline derivative, possible tautomer thereof, process of manufacturing therefor, and vulnerary including such derivative or tautomer ARAX CO., LTD. (JP) 1996-10-09 EP 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 (3 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-20050014788-A1 Piperidine derivatives and their use as modulators of chemokine receptor activity (especially ccr5) CCR5, CCR2, CCL2 NR3C1 361/4885GRIA4 684/4885L3MBTL1 4730/4885
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 NR3C1 146/4885GRIA4 221/4885L3MBTL1 3929/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 NR3C1 184/4885GRIA4 319/4885L3MBTL1 3687/4885

“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.