SCHEMBL3799644

SCHEMBL3799644

CC(C)(C)OCCCNS(=O)(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 2/20 0.53
MAPK1 P28482 2/20 0.50
TSHR P16473 2/20 0.49
F2 P00734 1/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 5/20 0.47
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
TMPRSS6 Q8IU80 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 2/20 0.44

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
SCHEMBL19798741 0.84 MAPK1 (0.69) MAPK1TSHRLMNASMN1; SMN2ALDH1A1
SCHEMBL13543488 0.79 ALDH1A1 (0.69) MEP1BMAPK1TSHRLMNASMN1; SMN2
SCHEMBL7673440 0.78 MEP1B (0.60) MEP1BTSHRF2LMNAALDH1A1
SCHEMBL751320 0.77 MEP1B (0.52) MEP1BMAPK1TSHRF2SMN1; SMN2
SCHEMBL9263017 0.77 ALDH1A1 (0.59) MEP1BMAPK1TSHRLMNASMN1; SMN2
SCHEMBL9414192 0.76 MEN1 (0.65) MEP1BMAPK1TSHRALDH1A1GAA
SCHEMBL23787605 0.76 MEP1B (0.65) MEP1BMAPK1TSHRLMNASMN1; SMN2
SCHEMBL7669283 0.75 MEP1B (0.58) MEP1BTSHRF2SMN1; SMN2ALDH1A1
SCHEMBL1018445 0.75 CYP2C19 (0.67) MEP1BTSHRF2LMNAALDH1A1
SCHEMBL3103190 0.74 MEP1B (0.67) MEP1BTSHRLMNASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2183239-A1 SULFONAMIDES AS TRPM8 MODULATORS Janssen Pharmaceutica, N.V. (BE) 2010-05-12 EP disclosed
WO-2009012430-A1 SULFONAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-22 WO disclosed