SCHEMBL819456

SCHEMBL819456

CC(C)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.43
LOX P28300 1/20 0.38
MAPT P10636 4/20 0.38
NPSR1 Q6W5P4 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
HDAC8 Q9BY41 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP2D6 P10635 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 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
SCHEMBL13404445 0.89 LOX (0.35) CES2LOXMAPTNPSR1CA1
SCHEMBL10157178 0.89 PTGS1 (0.36) CES2LOXMAPTNPSR1CA1
SCHEMBL21761832 0.86 CES2 (0.42) CES2MAPTNPSR1CA1CA2
SCHEMBL13623436 0.83 CES2 (0.46) CES2MAPTNPSR1CA1CA2
SCHEMBL2629467 0.81 CA1 (0.56) CES2NPSR1CA1CA2MMP1
SCHEMBL3601186 0.81 NOTUM (0.57) CES2MAPTNPSR1CA1CA2
SCHEMBL22181480 0.80 SLC40A1 (0.41) MAPTNPSR1LMNAKMT2AALDH1A1
SCHEMBL10157181 0.79 CA1 (0.53) MAPTCA1CA2MMP1MMP2
SCHEMBL21959011 0.77 LOX (0.39) LOXMAPTCA1CA2LMNA
SCHEMBL10068845 0.76 CES2 (0.48) CES2MAPTNPSR1CA1CA2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11673130-B2 Catalyst system containing a metathesis catalyst and at least one phenolic compound and a process for metathesis of nitrile-butadiene rubber (NBR) using the catalyst system ARLANXEO DEUTSCHLAND GMBH (DE) 2023-06-13 US disclosed
US-11673130-B2 Catalyst system containing a metathesis catalyst and at least one phenolic compound and a process for metathesis of nitrile-butadiene rubber (NBR) using the catalyst system ARLANXEO DEUTSCHLAND GMBH (DE) 2023-06-13 US disclosed
US-11040976-B2 Substrate selective inhibitors of insulin-degrading enzyme (IDE) and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-06-22 US disclosed
US-20190016723-A9 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN-DEGRADING ENZYME (IDE) AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-01-17 US disclosed
US-20180194768-A1 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN DEGRADING ENZYME (IDE) AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-07-12 US disclosed
US-20180194768-A1 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN DEGRADING ENZYME (IDE) AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-07-12 US disclosed
US-20140058106-A1 SYSTEM FOR FLUORINATING ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2014-02-27 US disclosed
US-20120316120-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2012-12-13 US disclosed
US-20120316120-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2012-12-13 US disclosed
US-20120149900-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2012-06-14 US disclosed
US-20120149900-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2012-06-14 US disclosed
US-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2012-04-19 US disclosed
US-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2012-04-19 US disclosed
US-20110054175-A1 SYSTEM FOR FLUORINATING ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2011-03-03 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-20120149900-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF FLI1, CDC73, FOS CES2 165/4885LOX 2326/4885MAPT 3107/4885
US-20140058106-A1 SYSTEM FOR FLUORINATING ORGANIC COMPOUNDS PFAS, ODC1, AOC1 CES2 518/4885LOX 1756/4885MAPT 2637/4885
US-20180194768-A1 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN DEGRADING ENZYME (IDE) AND USES THEREOF IDE, SI, GPR119 CES2 155/4885LOX 1415/4885MAPT 243/4885
US-20190016723-A9 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN-DEGRADING ENZYME (IDE) AND USES THEREOF IDE, SI, GPR119 CES2 105/4885LOX 1381/4885MAPT 236/4885
US-11040976-B2 Substrate selective inhibitors of insulin-degrading enzyme (IDE) and uses thereof IDE, SI, GPR119 CES2 105/4885LOX 1381/4885MAPT 236/4885
US-20120316120-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF FLI1, CDC73, FOS CES2 165/4885LOX 2326/4885MAPT 3107/4885
US-20110054175-A1 SYSTEM FOR FLUORINATING ORGANIC COMPOUNDS PFAS, ODC1, AOC1 CES2 518/4885LOX 1756/4885MAPT 2637/4885
US-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF FLI1, CDC73, FOS CES2 165/4885LOX 2326/4885MAPT 3107/4885

“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.