SCHEMBL307600

SCHEMBL307600

O=C(O)CC(=O)Nc1ccccc1C(F)(F)F

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.74
GAA P10253 3/20 0.68
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 4/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
KDM4E B2RXH2 1/20 0.56
HTT P42858 1/20 0.55
TDP1 Q9NUW8 1/20 0.54
MAPK1 P28482 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
HPGD P15428 1/20 0.54
CYP2C19 P33261 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL31690894 1.00 POLB (0.74) POLBGAAKMT2AMEN1ALDH1A1
SCHEMBL5142574 0.91 POLB (0.76) POLBGAAKMT2AMEN1ALDH1A1
SCHEMBL5131103 0.87 GAA (0.73) POLBGAAKMT2AMEN1ALDH1A1
SCHEMBL13667856 0.85 POLB (0.68) POLBGAAKMT2AMEN1ALDH1A1
SCHEMBL31570067 0.85 POLB (0.68) POLBGAAKMT2AMEN1ALDH1A1
SCHEMBL17028020 0.85 POLB (0.68) POLBGAAKMT2AMEN1ALDH1A1
SCHEMBL4654355 0.85 POLB (0.68) POLBGAAKMT2AMEN1ALDH1A1
SCHEMBL26627737 0.84 POLB (0.67) POLBGAAKMT2AMEN1ALDH1A1
SCHEMBL11620710 0.83 POLB (0.73) POLBGAAKMT2AMEN1ALDH1A1
SCHEMBL14817539 0.83 POLB (0.66) POLBGAAKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9656989-B2 2-pentafluorosulfanyl (SFS) mefloquine derivatives, formulations, methods of making, and uses thereof UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2017-05-23 US disclosed
US-9656989-B2 2-pentafluorosulfanyl (SFS) mefloquine derivatives, formulations, methods of making, and uses thereof UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2017-05-23 US disclosed
EP-1957498-B1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC (CA) 2017-02-15 EP disclosed
EP-1957498-B1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC (CA) 2017-02-15 EP disclosed
US-20160332988-A1 2-PENTAFLUOROSULFANYL (SF5) MEFLOQUINE DERIVATIVES, FORMULATIONS, METHODS OF MAKING, AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2016-11-17 US disclosed
US-20160332988-A1 2-PENTAFLUOROSULFANYL (SF5) MEFLOQUINE DERIVATIVES, FORMULATIONS, METHODS OF MAKING, AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2016-11-17 US disclosed
EP-1620391-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2014-01-15 EP disclosed
US-8329726-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-12-11 US disclosed
US-8329726-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-12-11 US disclosed
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC. 2012-04-05 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 US disclosed
EP-1656138-A2 SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2006-05-17 EP disclosed
EP-1620391-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2006-02-01 EP disclosed
EP-1617803-A2 MALONAMIDES AND MALONAMIDE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2006-01-25 EP disclosed
WO-2005020899-A2 SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-10 WO disclosed
US-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 US disclosed
US-20040235836-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2004-11-25 US disclosed
US-20040235835-A1 Malonamides and malonamide derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2004-11-25 US disclosed
WO-2004098516-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-18 WO disclosed
WO-2004098512-A2 MALONAMIDES AND MALONAMIDE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-18 WO 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 (6 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-20040235836-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 POLB 1862/4885GAA 4566/4885KMT2A 4466/4885
US-20040235835-A1 Malonamides and malonamide derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 POLB 3556/4885GAA 2249/4885KMT2A 3157/4885
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 POLB 1325/4885GAA 1146/4885KMT2A 3391/4885
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING HGF, MET, KDR POLB 1793/4885GAA 2532/4885KMT2A 2894/4885
US-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCR2 POLB 2084/4885GAA 4005/4885KMT2A 4093/4885
US-20160332988-A1 2-PENTAFLUOROSULFANYL (SF5) MEFLOQUINE DERIVATIVES, FORMULATIONS, METHODS OF MAKING, AND USES THEREOF SF3B5, SF3B2, SF3B3 POLB 3558/4885GAA 3795/4885KMT2A 2754/4885

“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.