SCHEMBL2906554

SCHEMBL2906554

CCCCCCCCCCCCOS(=O)(=O)OS(=O)(=O)O.[NaH]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.52
CA2 P00918 10/20 0.52
CA9 Q16790 8/20 0.52
CA12 O43570 3/20 0.52
CA7 P43166 3/20 0.52
CA14 Q9ULX7 3/20 0.52
CA3 P07451 2/20 0.52
CA4 P22748 2/20 0.52
CA6 P23280 2/20 0.52
CA5A P35218 2/20 0.52
CA5B Q9Y2D0 2/20 0.52
RECQL P46063 2/20 0.50
TSHR P16473 2/20 0.50
GLA P06280 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
EPHX2 P34913 1/20 0.50
BLM P54132 1/20 0.50
CES2 O00748 1/20 0.41
LPAR3 Q9UBY5 3/20 0.38

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
SCHEMBL21806031 0.98 CA1 (0.53) CA1CA2CA9CA12CA7
SCHEMBL27883448 0.98 CA1 (0.53) CA1CA2CA9CA12CA7
Ammonia Solution, Strong SCHEMBL27934705 0.96 CA1 (0.52) CA1CA2CA9CA12CA7
Butane SCHEMBL22500000 0.96 CA1 (0.52) CA1CA2CA9CA12CA7
SCHEMBL6883538 0.96 CA1 (0.52) CA1CA2CA9CA12CA7
SCHEMBL18984636 0.90 CA1 (0.50) CA1CA2CA9CA12CA7
Octadecylamine SCHEMBL9190397 0.90 CA1 (0.50) CA1CA2CA9CA12CA7
SCHEMBL10718667 0.86 CA1 (0.57) CA1CA2CA9CA12CA7
SCHEMBL28334620 0.86 CA1 (0.57) CA1CA2CA9CA12CA7
Sulfuric Acid SCHEMBL8488971 0.86 CA1 (0.57) CA1CA2CA9CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115386063-A Lignin-based waterborne polyurethane and preparation method thereof 广东拓普合成科技股份有限公司 2022-11-25 CN claimed
CN-115322311-A Lignin-based acrylic resin and preparation method thereof 广东睿鹏材料科学有限公司 2022-11-11 CN claimed
CN-115386063-A Lignin-based waterborne polyurethane and preparation method thereof 广东拓普合成科技股份有限公司 2022-11-25 CN disclosed
CN-115322311-A Lignin-based acrylic resin and preparation method thereof 广东睿鹏材料科学有限公司 2022-11-11 CN disclosed
CN-114177221-A Perfoliate knotweed extract ointment and preparation method and application thereof 浙江中医药大学 2022-03-15 CN disclosed
US-9000190-B2 Amide compound or salt thereof, biofilm inhibitor, biofilm remover and disinfectant containing the same UNIVERSITY OF TOKYO (JP) 2015-04-07 US disclosed
EP-2077260-B1 AMIDE COMPOUND OR SALT THEREOF, AND BIOFILM FORMATION INHIBITOR, BIOFILM REMOVER AND BACTERICIDE EACH USING THE AMIDE COMPOUND OR SALT THEREOF UNIV TOKYO (JP) 2015-02-18 EP disclosed
US-20150018564-A1 AMIDE COMPOUND OR SALT THEREOF, BIOFILM INHIBITOR, BIOFILM REMOVER AND DISINFECTANT CONTAINING THE SAME UNIVERSITY OF TOKYO (JP) 2015-01-15 US disclosed
US-8748617-B2 Amide compound or salt thereof, and biofilm inhibitor, biofilm remover and disinfectant containing the same UNIVERSITY OF TOKYO (JP) 2014-06-10 US disclosed
US-8507674-B2 Quorum sensing inhibitor THE UNIVERSITY OF TOKYO (JP) 2013-08-13 US disclosed
US-20120296094-A1 AMIDE COMPOUND OR SALT THEREOF, AND BIOFILM INHIBITOR, BIOFILM REMOVER AND DISINFECTANT CONTAINING THE SAME OTSUKA CHEMICAL CO., LTD. (JP) 2012-11-22 US disclosed
US-8258307-B2 Amide compound or salt thereof, and biofilm inhibitor, biofilm remover and disinfectant containing the same UNIVERSITY OF TOKYO (JP) 2012-09-04 US disclosed
US-20100256369-A1 QUORUM SENSING INHIBITOR THE UNIVERSITY OF TOKYO (JP) 2010-10-07 US disclosed
EP-2215910-A1 QUORUM SENSING INHIBITOR The University of Tokyo (JP) 2010-08-11 EP disclosed
EP-2077260-A1 AMIDE COMPOUND OR SALT THEREOF, AND BIOFILM FORMATION INHIBITOR, BIOFILM REMOVER AND BACTERICIDE EACH USING THE AMIDE COMPOUND OR SALT THEREOF The University of Tokyo (JP) 2009-07-08 EP disclosed
EP-2077109-A1 AMIDE COMPOUND, SALT THEREOF, AND BIOFILM REMOVER USING THEM The University of Tokyo (JP) 2009-07-08 EP disclosed
US-20090068120-A1 AMIDE COMPOUND OR SALT THEREOF, AND BIOFILM INHIBITOR, BIOFILM REMOVER AND DISINFECTANT CONTAINING THE SAME OTSUKA CHEMICAL CO., LTD. (JP) 2009-03-12 US disclosed
US-20080241081-A1 AMIDE COMPOUND OR SALT THEREOF, AND BIOFILM REMOVER CONTAINING THE SAME UNIVERSITY OF TOKYO (JP) 2008-10-02 US 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 (5 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-20150018564-A1 AMIDE COMPOUND OR SALT THEREOF, BIOFILM INHIBITOR, BIOFILM REMOVER AND DISINFECTANT CONTAINING THE SAME Q6ZSR9, F12, H1-0 CA1 1402/4885CA2 929/4885CA9 698/4885
US-20090068120-A1 AMIDE COMPOUND OR SALT THEREOF, AND BIOFILM INHIBITOR, BIOFILM REMOVER AND DISINFECTANT CONTAINING THE SAME Q6ZSR9, F12, H1-0 CA1 1514/4885CA2 933/4885CA9 729/4885
US-20080241081-A1 AMIDE COMPOUND OR SALT THEREOF, AND BIOFILM REMOVER CONTAINING THE SAME H1-0, H1-10, H1-4 CA1 365/4885CA2 83/4885CA9 46/4885
US-20100256369-A1 QUORUM SENSING INHIBITOR BLVRB, API5, Q6ZSR9 CA1 3450/4885CA2 2173/4885CA9 2597/4885
US-20120296094-A1 AMIDE COMPOUND OR SALT THEREOF, AND BIOFILM INHIBITOR, BIOFILM REMOVER AND DISINFECTANT CONTAINING THE SAME Q6ZSR9, F12, H1-0 CA1 1514/4885CA2 933/4885CA9 729/4885

“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.