SCHEMBL356010

SCHEMBL356010

O=S(=O)([O-])c1ccc2c3ccccc3[s+](C(F)(F)F)c2c1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PARP1 P09874 1/20 0.32
PTPN1 P18031 2/20 0.31
POLB P06746 1/20 0.31
APOBEC3A P31941 1/20 0.31
CASP6 P55212 1/20 0.31
KMT2A Q03164 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
DUSP5 Q16690 1/20 0.31
GPR3 P46089 1/20 0.30

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
SCHEMBL8717271 0.88 LMNA (0.32) LMNATDP1PARP1PTPN1POLB
SCHEMBL8715628 0.84
Trifluoromethanesulfonic Acid SCHEMBL115549 0.83 GPR3 (0.44) PTPN1GPR3
Trifluoromethanesulfonic Acid SCHEMBL29483957 0.83 GPR3 (0.44) PTPN1GPR3
SCHEMBL8719071 0.83 CA1 (0.30)
SCHEMBL29483958 0.78 ALDH1A1 (0.32)
Trifluoromethanesulfonic Acid SCHEMBL7978113 0.76 PTPN1 (0.33) PTPN1GPR3
SCHEMBL5690740 0.75 CA2 (0.35) GPR3
SCHEMBL6995721 0.73
SCHEMBL629520 0.73 ACHE (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424856-B1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2014-12-31 EP disclosed
US-8461181-B2 Fused heterocyclic compound and use thereof SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2013-06-11 US disclosed
US-8273764-B2 Fused heterocyclic compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-25 US disclosed
US-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-07-12 US disclosed
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-19 US disclosed
US-20100227859-A1 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH LLC 2010-09-09 US disclosed
US-20100085683-A1 ELECTROLYTE, ELECTROLYTIC SOLUTION, AND ELECTROCHEMICAL DEVICE USING THE SAME SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-08 US disclosed
EP-2144893-A2 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2010-01-20 EP disclosed
EP-2141712-A1 ELECTROLYTE, AND ELECTROLYTE SOLUTION OR ELECTROCHEMICAL ELEMENT COMPRISING THE SAME Sanyo Chemical Industries, Ltd. (JP) 2010-01-06 EP disclosed
EP-2074107-A2 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2009-07-01 EP disclosed
WO-2008137816-A2 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH (US) 2008-11-13 WO disclosed
WO-2008057254-A2 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH (US) 2008-05-15 WO disclosed
EP-1206265-B1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2003-11-12 EP disclosed
US-6498165-B1 PYRIMIDINE COMPOUNDS; PROPHYLAXIS AND TREATMENT OF SUCH AS IMMUNE DISEASES, HYPERPROLIFERATIVE DISORDERS, CANCER, ANGIOGENSIS, ATHEROSCELEROSIS, GRAFT REJECTION, RHEUMATOID ARTHRITIS, PSORIASIS MERCK & CO., INC. 2002-12-24 US disclosed
EP-1206265-A4 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2002-08-07 EP disclosed
EP-1206265-A1 SRC KINASE INHIBITOR COMPOUNDS Merck & Co., Inc. (US) 2002-05-22 EP disclosed
WO-2001000213-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 WO disclosed
EP-0647638-B1 (HALOALKYL)DIBENZO-ONIUM SULFONATE, PROCESS FOR PRODUCING THE SAME, AND HALOALKYLATING AGENT AND METHOD DAIKIN IND LTD (JP) 1998-10-07 EP disclosed
US-5569771-A (Haloalkyl) dibenzooniumsulfonate and its production methods; and a haloalkylating agent and haloalkylating methods DAIKIN INDUSTRIES LTD. (JP) 1996-10-29 US disclosed
EP-0647638-A1 (HALOALKYL)DIBENZO-ONIUM SULFONATE, PROCESS FOR PRODUCING THE SAME, AND HALOALKYLATING AGENT AND METHOD DAIKIN INDUSTRIES, LIMITED (JP) 1995-04-12 EP 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 (4 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-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 LMNA 1456/4885TDP1 3930/4885PARP1 2562/4885
US-20100227859-A1 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS MMP13, MMP2, MMP12 LMNA 685/4885TDP1 733/4885PARP1 255/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 LMNA 1456/4885TDP1 3930/4885PARP1 2562/4885
US-20100085683-A1 ELECTROLYTE, ELECTROLYTIC SOLUTION, AND ELECTROCHEMICAL DEVICE USING THE SAME HCN4, HCN1, HCN2 LMNA 3348/4885TDP1 3888/4885PARP1 3649/4885

“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.