SCHEMBL213638

SCHEMBL213638

COC(=O)c1cc2cc(OS(=O)(=O)C(F)(F)F)ccc2[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.63
KDM4E B2RXH2 4/20 0.52
KMT2A Q03164 3/20 0.52
GAA P10253 1/20 0.52
PDGFRB P09619 2/20 0.51
PDGFRA P16234 2/20 0.51
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
BCAT1 P54687 1/20 0.48
FLT3 P36888 6/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL2391276 0.86 KDM4E (0.67) XDHKDM4EKMT2AGAAPDGFRB
SCHEMBL6518676 0.84 KDM4E (0.71) XDHKDM4EKMT2AGAAPDGFRB
SCHEMBL1104006 0.81 PDGFRB (0.77) XDHKDM4EKMT2APDGFRBPDGFRA
SCHEMBL31361409 0.81 PDGFRB (0.77) XDHKDM4EKMT2APDGFRBPDGFRA
SCHEMBL3316267 0.77 STS (0.49) XDHKDM4EALDH1A1LMNAHTT
SCHEMBL16236301 0.77 HRH4 (0.57) XDHKDM4EKMT2AGAAPDGFRB
SCHEMBL12763636 0.77 XDH (0.56) XDHKDM4EKMT2AGAAPDGFRB
SCHEMBL8932705 0.75 XDH (0.64) XDHKDM4EKMT2APDGFRBPDGFRA
SCHEMBL2731044 0.75 KDM4E (0.66) XDHKDM4ENPC1ALDH1A1LMNA
SCHEMBL2113911 0.75 STS (0.47) XDHKDM4EALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200354319-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME UNIV CORNELL (US) 2020-11-12 US disclosed
US-20140161729-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2014-06-12 US disclosed
WO-2013058824-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CORNELL UNIVERSITY (US) 2013-04-25 WO disclosed
US-8088768-B2 Protein kinase and phosphatase inhibitors THE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) 2012-01-03 US disclosed
US-20110136807-A1 Bicyclic compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2011-06-09 US disclosed
US-7901894-B2 Kinase inhibitors THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2011-03-08 US disclosed
US-20110028474-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2011-02-03 US disclosed
EP-1147214-B1 A NOVEL METHOD FOR DESIGNING PROTEIN KINASE INHIBITORS UNIV NEW YORK STATE RES FOUND (US) 2011-01-05 EP disclosed
US-7838542-B2 Bicyclic compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2010-11-23 US disclosed
US-7838542-B2 Bicyclic compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2010-11-23 US disclosed
US-7070936-B1 Method for designing protein kinase inhibitors THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2006-07-04 US disclosed
US-20060089401-A1 Kinase inhibitors THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2006-04-27 US disclosed
US-7005445-B2 Protein kinase and phosphatase inhibitors and methods for designing them THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2006-02-28 US disclosed
US-20060030544-A1 Protein kinase and phosphatase inhibitors and methods for designing them RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK, THE 2006-02-09 US disclosed
EP-1444204-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS, METHODS FOR DESIGNING THEM, AND METHODS OF USING THEM THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2004-08-11 EP disclosed
US-20040019015-A1 Protection against and treatment of hearing loss HEALTH RESEARCH, INC. (ROSWELL PARK DIVISION) 2004-01-29 US disclosed
US-20030166615-A1 Protein kinase and phosphatase inhibitors and methods for designing them RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK, THE 2003-09-04 US disclosed
WO-2003035621-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS, METHODS FOR DESIGNING THEM, AND METHODS OF USING THEM THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2003-05-01 WO disclosed
EP-1147214-A1 A NOVEL METHOD FOR DESIGNING PROTEIN KINASE INHIBITORS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2001-10-24 EP disclosed
WO-2000042213-A1 A NOVEL METHOD FOR DESIGNING PROTEIN KINASE INHIBITORS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2000-07-20 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 (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-20110028474-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS PTPN5, PTPN2, PTPN4 XDH 3574/4885KDM4E 1123/4885KMT2A 1935/4885
US-20060030544-A1 Protein kinase and phosphatase inhibitors and methods for designing them PTPN5, PTPN2, PTPN6 XDH 3623/4885KDM4E 1359/4885KMT2A 2269/4885
US-20040019015-A1 Protection against and treatment of hearing loss NTRK2, AIFM2, AIFM1 XDH 580/4885KDM4E 2603/4885KMT2A 2446/4885
US-20140161729-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM TNFSF11, CD14, TNFRSF1A XDH 3433/4885KDM4E 4722/4885KMT2A 4813/4885
US-20060089401-A1 Kinase inhibitors MAP3K5, MAP3K20, MAP4K5 XDH 3920/4885KDM4E 1668/4885KMT2A 1954/4885
US-20200354319-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CALCOCO2, MDN1, MBNL1 XDH 3621/4885KDM4E 4611/4885KMT2A 4317/4885
US-20110136807-A1 Bicyclic compositions and methods for modulating a kinase cascade MAP3K20, MAP3K6, MAP3K2 XDH 3206/4885KDM4E 2169/4885KMT2A 2247/4885
US-20030166615-A1 Protein kinase and phosphatase inhibitors and methods for designing them PTPN5, PTPN2, PTPN6 XDH 3623/4885KDM4E 1359/4885KMT2A 2269/4885

“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.