SCHEMBL1736186

SCHEMBL1736186

CCn1cc[n+](C)c1.O=S(=O)([O-])C(F)(F)C(F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 0.35
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
APAF1 O14727 1/20 0.34
NPC1 O15118 1/20 0.34
PLA2G1B P04054 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL357685 0.89 FDPS (0.37) FDPSHTTMEN1APAF1NPC1
SCHEMBL358056 0.87 MEN1 (0.49) FDPSHTTMEN1APAF1NPC1
Trifluoromethanesulfonic Acid SCHEMBL133213 0.84 FDPS (0.40) FDPSHTTMEN1APAF1NPC1
Sulfuric Acid SCHEMBL5527767 0.82 FDPS (0.42) FDPSHTTMEN1APAF1NPC1
SCHEMBL2935436 0.81 FDPS (0.32) FDPSHTTMEN1APAF1NPC1
SCHEMBL16038673 0.80 FDPS (0.38) FDPSHTTMEN1APAF1NPC1
Trifluoromethanesulfonic Acid SCHEMBL15768578 0.79 FDPS (0.40) FDPSHTTMEN1APAF1NPC1
Trifluoromethanesulfonic Acid SCHEMBL4553127 0.79 FDPS (0.40) FDPSHTTMEN1APAF1NPC1
SCHEMBL15991670 0.79 FDPS (0.37) FDPSHTTMEN1APAF1NPC1
Sulfuric Acid SCHEMBL2325415 0.79 SMN1; SMN2 (0.46) FDPSHTTMEN1APAF1NPC1

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 88 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954680-B1 IONIC LIQUIDS DU PONT (US) 2012-05-23 EP claimed
US-20110195212-A1 Flame Retardant Polycarbonate Compositions E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-08-11 US claimed
US-20100204521-A1 PROCESSES FOR MAKING DIBUTYL ETHERS FROM 2-BUTANOL E. I. DU PONT DE NEMOURS AND COMPANY 2010-08-12 US claimed
US-20100197974-A1 PROCESSES FOR MAKING DIALKYL ETHERS FROM ALCOHOLS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-08-05 US claimed
US-20100174120-A1 PROCESSES FOR MAKING DIBUTYL ETHERS FROM ISOBUTANOL E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-08 US claimed
US-7544813-B2 Ionic liquids E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-06-09 US claimed
EP-1940914-B1 PREPARATION OF POLYTRIMETHYLENE ETHER GLYCOL AND COPOLYMERS THEREOF DU PONT (US) 2009-05-13 EP claimed
US-7528287-B2 Preparation of poly(tetramethylene) glycol E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-05-05 US claimed
US-20080221241-A1 Flame Retardant Polycarbonate Compositions E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-09-11 US claimed
US-7238772-B2 Preparation of polytrimethylene ether glycol and copolymers thereof E. I. DU PONT DE NEMOURS AND COMPANY (DE) 2007-07-03 US claimed
US-20070100181-A1 Olefin isomerization E. I. DU PONT DE NEMOURS AND COMPANY 2007-05-03 US claimed
US-20070100184-A1 Alkylation of aromatic compounds E. I. DU PONT DE NEMOURS AND COMPANY 2007-05-03 US claimed
US-20070066852-A1 Preparation of poly(tetramethylene) glycol THE CHEMOURS COMPANY FC, LLC 2007-03-22 US claimed
US-20070066854-A1 Preparation of polytrimethylene ether glycol and copolymers thereof THE CHEMOURS COMPANY FC, LLC 2007-03-22 US claimed
US-20070066822-A1 Ionic liquids THE CHEMOURS COMPANY FC, LLC 2007-03-22 US claimed
EP-2118194-B1 FLAME RETARDANT POLYCARBONATE COMPOSITIONS DU PONT (US) 2014-12-03 EP disclosed
US-20140286849-A1 Mixtures of Ammonia and Ionic Liquids E. I. DU PONT DE NEMOURS AND COMPANY (US) 2014-09-25 US disclosed
US-20070019708-A1 Hybrid vapor compression-absorption cycle E. I. DU PONT DE NEMOURS AND COMPANY 2007-01-25 US disclosed
WO-2006124776-A2 HYBRID VAPOR COMPRESSION-ABSORPTION CYCLE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2006-11-23 WO disclosed
US-20060197053-A1 Absorption cycle utilizing ionic liquid as working fluid E. I. DU PONT DE NEMOURS AND COMPANY 2006-09-07 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 (8 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-20100174120-A1 PROCESSES FOR MAKING DIBUTYL ETHERS FROM ISOBUTANOL EBP, PPIP5K2, PCBP1 FDPS 334/4885HTT 3899/4885MEN1 3323/4885
US-20100197974-A1 PROCESSES FOR MAKING DIALKYL ETHERS FROM ALCOHOLS ADH1C, DCLK1, GK FDPS 719/4885HTT 3130/4885MEN1 2945/4885
US-20070100184-A1 Alkylation of aromatic compounds TYR, ALK, AHR FDPS 793/4885HTT 900/4885MEN1 1923/4885
US-20070066854-A1 Preparation of polytrimethylene ether glycol and copolymers thereof PARG, PTGES3, PGD FDPS 1220/4885HTT 4120/4885MEN1 1773/4885
US-20100204521-A1 PROCESSES FOR MAKING DIBUTYL ETHERS FROM 2-BUTANOL TRIB2, EBP, DAB2IP FDPS 843/4885HTT 4231/4885MEN1 3674/4885
US-20070100181-A1 Olefin isomerization OSBP, OXER1, ALOX12 FDPS 853/4885HTT 1962/4885MEN1 3487/4885
US-20070066822-A1 Ionic liquids AFF2, AFF1, ZYX FDPS 2830/4885HTT 4577/4885MEN1 1207/4885
US-20070066852-A1 Preparation of poly(tetramethylene) glycol PARG, PUF60, TPR FDPS 551/4885HTT 199/4885MEN1 322/4885

“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.