Sugi Predict

Sugi Predict / Compounds / SCHEMBL1736110

SCHEMBL1736110

SCHEMBL1736110

CCCCCCCCCCCCn1cc[n+](C)c1.O=S(=O)([O-])C(F)(F)C(F)F

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.59
▸ HSP90AA1 P07900 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ APAF1 O14727 1/20 0.59
▸ NPC1 O15118 1/20 0.59
▸ PLA2G1B P04054 1/20 0.59
▸ MAPT P10636 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ HTT P42858 1/20 0.59
▸ RAB9A P51151 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ ATG4B Q9Y4P1 1/20 0.59
▸ FDPS P14324 17/20 0.40

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
SCHEMBL1735067 1.00 MEN1 (0.59) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL1736115 1.00 MEN1 (0.59) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL358008 1.00 MEN1 (0.59) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL1735957 1.00 MEN1 (0.59) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL1858368 1.00 MEN1 (0.59) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL357140 0.95 MEN1 (0.51) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL16107838 0.90 MEN1 (0.43) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Trifluoromethanesulfonic Acid SCHEMBL318764 0.89 MEN1 (0.68) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Trifluoromethanesulfonic Acid SCHEMBL1331129 0.89 MEN1 (0.68) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Trifluoromethanesulfonic Acid SCHEMBL318767 0.89 MEN1 (0.68) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2021276-B1 PROCESS FOR PURIFYING PERFLUORINATED PRODUCTS DU PONT (US) 2013-07-17 — — EP claimed
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
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-2009032962-A2 PROCESSES FOR MAKING DIBUTYL ETHERS FROM ISOBUTANOL E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-03-12 — — WO 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
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

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 MEN1 3323/4885HSP90AA1 4145/4885KMT2A 3522/4885
US-20100197974-A1 PROCESSES FOR MAKING DIALKYL ETHERS FROM ALCOHOLS ADH1C, DCLK1, GK MEN1 2945/4885HSP90AA1 4442/4885KMT2A 1980/4885
US-20070100184-A1 Alkylation of aromatic compounds TYR, ALK, AHR MEN1 1923/4885HSP90AA1 4448/4885KMT2A 618/4885
US-20070066854-A1 Preparation of polytrimethylene ether glycol and copolymers thereof PARG, PTGES3, PGD MEN1 1773/4885HSP90AA1 4539/4885KMT2A 3420/4885
US-20100204521-A1 PROCESSES FOR MAKING DIBUTYL ETHERS FROM 2-BUTANOL TRIB2, EBP, DAB2IP MEN1 3674/4885HSP90AA1 3938/4885KMT2A 1732/4885
US-20070100181-A1 Olefin isomerization OSBP, OXER1, ALOX12 MEN1 3487/4885HSP90AA1 4435/4885KMT2A 3834/4885
US-20070066822-A1 Ionic liquids AFF2, AFF1, ZYX MEN1 1207/4885HSP90AA1 4020/4885KMT2A 2696/4885
US-20070066852-A1 Preparation of poly(tetramethylene) glycol PARG, PUF60, TPR MEN1 322/4885HSP90AA1 3968/4885KMT2A 3529/4885

“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.