SCHEMBL7367486

SCHEMBL7367486

O=C(NS(=O)(=O)c1ccc(Br)cc1)c1cc[c]cc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.68
PTGS1 P23219 4/20 0.68
EGFR P00533 8/20 0.58
FLT1 P17948 4/20 0.54
FLT4 P35916 4/20 0.54
KDR P35968 4/20 0.54
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
MMP1 P03956 1/20 0.53
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
MMP13 P45452 1/20 0.53
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ERBB2 P04626 1/20 0.50
GAA P10253 1/20 0.49

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
SCHEMBL7332939 0.84 FLT1 (0.78) PTGS2PTGS1EGFRFLT1FLT4
SCHEMBL4464235 0.83 PTGS2 (0.71) PTGS2PTGS1EGFRFLT1FLT4
SCHEMBL7291774 0.83 FLT1 (0.61) PTGS2PTGS1EGFRFLT1FLT4
SCHEMBL24347999 0.80 PTGS2 (0.67) PTGS2PTGS1EGFRFLT1FLT4
SCHEMBL5304383 0.80 FLT1 (0.66) PTGS2PTGS1EGFRFLT1FLT4
SCHEMBL7213397 0.78 PTGS2 (0.64) PTGS2PTGS1EGFRFLT1FLT4
SCHEMBL7213399 0.78 PTGS2 (0.64) PTGS2PTGS1EGFRFLT1FLT4
SCHEMBL8203822 0.77 FLT1 (0.77) PTGS2PTGS1EGFRFLT1FLT4
SCHEMBL7367482 0.74 PTGS2 (0.55) PTGS2PTGS1EGFRFLT1FLT4
SCHEMBL5046808 0.73 HSD17B2 (0.53) CA1CA2MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5907068-A TRIFLUOROMETHYLSUBSTITUTED COMPOUND INCLUDED IN PEPTIDES ZENECA INC. (US) 1999-05-25 US disclosed
US-5726158-A INHIBITORS OF HUMAN LEUKOCYTE ELASTASE USEFUL IN TREATING TISSUE DEGENERATIVE DISEASES; TRIFLUOROMETHYL KETONE SUBSTITUTED DI-, TRI-, AND TETRA-PEPTIDE DERIVATIVES ZENECA INC. (US) 1998-03-10 US disclosed
US-5414132-A Peptide intermediates ZENECA INC. (US) 1995-05-09 US disclosed
CN-1027640-C Process for producing novel trifluoromethyl ketone substituted peptide derivatives ICI AMERICA INC (US) 1995-02-15 CN disclosed
US-5194588-A Inhibitors of human leukocyte elastase, di-, tri- and tetra-peptides ICI AMERICAS INC. (US) 1993-03-16 US disclosed
EP-0189305-B1 PEPTIDE DERIVATIVES ICI AMERICAS INC. (US) 1992-07-29 EP disclosed
US-5055450-A Di-, tri- and tetrapeptides as inhibitors of human leukocyte elastase ICI AMERICAS INC. (US) 1991-10-08 US disclosed
US-4923890-A Difluoro keto compounds and their use as HLE inhibitors ICI AMERICAS INC. (US) 1990-05-08 US disclosed
US-4910190-A Containing a nitrogen containing heterocycle ring structure ICI AMERICAS INC. (US) 1990-03-20 US disclosed
US-4880780-A RESPIRATORY SYSTEM DISORDERS ICI AMERICAS INC. (US) 1989-11-14 US disclosed
US-4873221-A Difluoro peptide compounds ICI AMERICAS INC. (US) 1989-10-10 US disclosed
EP-0249349-A1 Difluoroketo compounds ICI AMERICAS INC. (US) 1987-12-16 EP disclosed
EP-0248562-A2 Difluoro peptide compounds ZENECA INC. (US) 1987-12-09 EP disclosed
EP-0204571-A2 Selected difluoro derivatives ICI AMERICAS INC. (US) 1986-12-10 EP disclosed
CN-86101066-A Process for producing novel trifluoromethyl ketone substituted peptide derivatives 1986-11-05 CN disclosed
EP-0189305-A2 Peptide derivatives ICI AMERICAS INC. (US) 1986-07-30 EP disclosed