SCHEMBL1736133

SCHEMBL1736133

CCCCn1ccnc1C.O=S(=O)(O)C(F)(F)C(F)F

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
KMT2A Q03164 2/20 0.60
POLB P06746 1/20 0.60
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
TLR8 Q9NR97 2/20 0.38
FDPS P14324 1/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.36
NMT1 P30419 1/20 0.36
P2RX7 Q99572 1/20 0.36
F10 P00742 2/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL28337874 0.92 ALDH1A1 (0.48) ALDH1A1KMT2APOLBCA12CA1
Trifluoromethanesulfonic Acid SCHEMBL3177599 0.88 ALDH1A1 (0.69) ALDH1A1KMT2APOLBCA12CA1
Trifluoromethanesulfonic Acid SCHEMBL28446309 0.84 ALDH1A1 (0.62) ALDH1A1KMT2APOLBCA12CA1
Sulfuric Acid SCHEMBL28294824 0.84 ALDH1A1 (0.80) ALDH1A1KMT2APOLBCA12CA1
Sulfuric Acid SCHEMBL4386721 0.84 ALDH1A1 (0.80) ALDH1A1KMT2APOLBCA12CA1
Sulfuric Acid SCHEMBL21331904 0.84 ALDH1A1 (0.80) ALDH1A1KMT2APOLBCA12CA1
Trifluoromethanesulfonic Acid SCHEMBL15378199 0.83 ALDH1A1 (0.60) ALDH1A1KMT2APOLBCA12CA1
SCHEMBL3194597 0.82 ALDH1A1 (0.77) ALDH1A1KMT2APOLBCA12CA1
SCHEMBL15378763 0.81 ALDH1A1 (0.58) ALDH1A1KMT2APOLBCA12CA1
Trifluoromethanesulfonic Acid SCHEMBL29498990 0.81 ALDH1A1 (0.56) ALDH1A1KMT2APOLBCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2205545-A2 PROCESSES FOR MAKING DIBUTYL ETHERS FROM 2-BUTANOL E. I. du Pont de Nemours and Company (US) 2010-07-14 EP 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
EP-2185494-A2 PROCESSES FOR MAKING DIBUTYL ETHERS FROM ISOBUTANOL E. I. du Pont de Nemours and Company (US) 2010-05-19 EP 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
WO-2009032961-A2 PROCESSES FOR MAKING DIBUTYL ETHERS FROM 2-BUTANOL E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-03-12 WO claimed
WO-2009032962-A2 PROCESSES FOR MAKING DIBUTYL ETHERS FROM ISOBUTANOL E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-03-12 WO claimed
CN-101268057-A Ionic liquids DU PONT (US) 2008-09-17 CN 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-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-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 (7 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 ALDH1A1 2305/4885KMT2A 3522/4885POLB 204/4885
US-20100197974-A1 PROCESSES FOR MAKING DIALKYL ETHERS FROM ALCOHOLS ADH1C, DCLK1, GK ALDH1A1 800/4885KMT2A 1980/4885POLB 2180/4885
US-20070100184-A1 Alkylation of aromatic compounds TYR, ALK, AHR ALDH1A1 543/4885KMT2A 618/4885POLB 1804/4885
US-20070066854-A1 Preparation of polytrimethylene ether glycol and copolymers thereof PARG, PTGES3, PGD ALDH1A1 840/4885KMT2A 3420/4885POLB 806/4885
US-20100204521-A1 PROCESSES FOR MAKING DIBUTYL ETHERS FROM 2-BUTANOL TRIB2, EBP, DAB2IP ALDH1A1 2378/4885KMT2A 1732/4885POLB 291/4885
US-20070066822-A1 Ionic liquids AFF2, AFF1, ZYX ALDH1A1 3728/4885KMT2A 2696/4885POLB 3507/4885
US-20070066852-A1 Preparation of poly(tetramethylene) glycol PARG, PUF60, TPR ALDH1A1 2896/4885KMT2A 3529/4885POLB 773/4885

“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.