SCHEMBL3306476

SCHEMBL3306476

COc1ccc(N=Nc2ccc(S(=O)(=O)O)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.69
POLB P06746 1/20 0.61
CYP2D6 P10635 1/20 0.61
PKM P14618 3/20 0.53
BRD4 O60885 1/20 0.52
RPS6KA3 P51812 1/20 0.51
F2 P00734 3/20 0.50
PRSS1 P07477 3/20 0.50
PRSS2 P07478 3/20 0.50
PRSS3 P35030 3/20 0.50
CA2 P00918 2/20 0.50
CA1 P00915 1/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
MAPT P10636 1/20 0.50
GAA P10253 1/20 0.50
PTPN1 P18031 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
SCHEMBL14022704 1.00 PTGS2 (0.69) PTGS2POLBCYP2D6PKMBRD4
SCHEMBL3306473 1.00 PTGS2 (0.69) PTGS2POLBCYP2D6PKMBRD4
SCHEMBL286762 0.88 PKM (0.67) PTGS2PKMF2PRSS1PRSS2
Hydrogen Sulfide SCHEMBL27655402 0.86 PKM (0.64) PTGS2PKMF2PRSS1PRSS2
Hydrochloric Acid SCHEMBL1328452 0.86 PKM (0.64) PTGS2PKMF2PRSS1PRSS2
Ammonia Solution, Strong SCHEMBL25386463 0.86 PKM (0.64) PTGS2PKMF2PRSS1PRSS2
Fluoride SCHEMBL27786941 0.86 PKM (0.64) PKMF2PRSS1PRSS2PRSS3
SCHEMBL10497952 0.86 PKM (0.64) PTGS2PKMF2PRSS1PRSS2
SCHEMBL8627561 0.86 PKM (0.64) PTGS2PKMF2PRSS1PRSS2
Water SCHEMBL8627002 0.86 PKM (0.64) PTGS2PKMF2PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5618726-A DYE HAVING LIGNIN-LIKE SUBSTITUTION PATTERN AND A MICROBE CAPABLE OF PRODUCING EXTRACELLULAR PEROXIDASE IDAHO RESEARCH FOUNDATION, INC. (US) 1997-04-08 US claimed
US-9404001-B2 Photochromic latex ink XEROX CORPORATION (US) 2016-08-02 US disclosed
US-20150153479-A1 PHOTOCHROMIC LATEX INK XEROX CORPORATION (US) 2015-06-04 US disclosed
US-7708396-B2 Photochromic phase change inks XEROX CORPORATION (US) 2010-05-04 US disclosed
US-20070211124-A1 PHOTOCHROMIC PHASE CHANGE INKS XEROX CORPORATION (US) 2007-09-13 US disclosed
US-5759729-A A DRY TONER COMPRISING A RESIN, PHOTOCHROMATIC SPIROPYRAN, -OXAZINE OR -THIOPYRAN DYE AND A CHARGE CONTROL AGENT;ELECTROGRAPHY; XEROGRAPHY XEROX CORPORATION (US) 1998-06-02 US disclosed
US-5710420-A Method for embedding and recovering machine-readable information XEROX CORPORATION (US) 1998-01-20 US disclosed
US-5633109-A Ink compositions with liposomes containing photochromic compounds XEROX CORPORATION (US) 1997-05-27 US disclosed
US-5618726-A DYE HAVING LIGNIN-LIKE SUBSTITUTION PATTERN AND A MICROBE CAPABLE OF PRODUCING EXTRACELLULAR PEROXIDASE IDAHO RESEARCH FOUNDATION, INC. (US) 1997-04-08 US disclosed
US-5593486-A Photochromic hot melt ink compositions XEROX CORPORATION (US) 1997-01-14 US disclosed
US-5551973-A LIQUID CRYSTAL GEL PHASE, MICROEMULSION PHASE XEROX CORPORATION (US) 1996-09-03 US disclosed