SCHEMBL4556988

SCHEMBL4556988

O=S1(=O)NCCN1c1cc2cc(-c3cccc(OC(F)(F)F)c3)ccc2cc1O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
SLC6A7 Q99884 1/20 0.39
PIM1 P11309 2/20 0.38
PTPN1 P18031 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
GHSR Q92847 1/20 0.38
GALR1 P47211 1/20 0.38
DHODH Q02127 2/20 0.37
MGLL Q99685 1/20 0.37
SCN9A Q15858 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
SLC13A5 Q86YT5 1/20 0.36
OTUD7B Q6GQQ9 2/20 0.35
CHRM3 P20309 1/20 0.35
XDH P47989 1/20 0.35
USP30 Q70CQ3 1/20 0.35
RIPK1 Q13546 1/20 0.35
MAP4K1 Q92918 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
SCHEMBL2935759 0.86 PGR (0.39) SLC6A7PTPN1HRH3GHSRMGLL
SCHEMBL629600 0.83 PTPN1 (0.59) FFAR1FFAR4SLC6A7PIM1PTPN1
SCHEMBL2933403 0.80 PTPN1 (0.39) PTPN1
SCHEMBL2929513 0.79 PTPN1 (0.41) FFAR1PTPN1GHSRCHRM3
SCHEMBL4557317 0.67 PTPN1 (0.39) PTPN1
SCHEMBL4648799 0.66 PTPN1 (0.38) PTPN1
SCHEMBL630508 0.66 PTPN1 (0.66) PTPN1
SCHEMBL629950 0.65 PTPN1 (0.59) PTPN1MGLL
SCHEMBL629611 0.65 PTPN1 (0.58) PTPN1XDH
SCHEMBL4784078 0.65 PTPN1 (0.39) PTPN1

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-2089026-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE PROMOTION OF PHYSIOLOGICAL CARDIAC HYPERTROPHY Novartis AG (CH) 2009-08-19 EP disclosed
WO-2008070552-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE PROMOTION OF PHYSIOLOGICAL CARDIAC HYPERTROPHY NOVARTIS AG (CH) 2008-06-12 WO disclosed