SCHEMBL8230642

SCHEMBL8230642

CS(=O)(=O)OCCCN(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MMP9 P14780 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
SIGMAR1 Q99720 5/20 0.43
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 2/20 0.36
FFAR1 O14842 1/20 0.35
CNR2 P34972 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNA1B Q00975 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL6972956 0.80 CNR2 (0.40) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL5656552 0.79 KDM4E (0.36) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL8574884 0.75 ALDH1A1 (0.48) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL9984770 0.73 NR3C2 (0.44) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL5252209 0.72 ALDH1A1 (0.45) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL5659594 0.72 CNR2 (0.51) TSHRCNR2
SCHEMBL11176669 0.71 SIGMAR1 (0.49) SIGMAR1ESR1ESR2SLC6A3KCNH2
SCHEMBL15436633 0.71 SIGMAR1 (0.49) SIGMAR1ESR1ESR2SLC6A3KCNH2
SCHEMBL7002076 0.71 TSHR (0.44) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL980388 0.70 CA1 (0.44) KDM4EUSP2ALDH1A1LMNAMMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883816-B2 Fused and spirocycle compounds and the use thereof PURDUE PHARMA L.P. (US) 2014-11-11 US disclosed
US-8883816-B2 Fused and spirocycle compounds and the use thereof PURDUE PHARMA L.P. (US) 2014-11-11 US disclosed
US-8791264-B2 Benzenesulfonamide compounds and their use as blockers of calcium channels PURDUE PHARMA L.P. (US) 2014-07-29 US disclosed
US-8791264-B2 Benzenesulfonamide compounds and their use as blockers of calcium channels PURDUE PHARMA L.P. (US) 2014-07-29 US disclosed
US-20140045875-A1 Fused and Spirocycle Compounds and the Use Thereof PURDUE PHARMA L.P. (US) 2014-02-13 US disclosed
US-20140045875-A1 Fused and Spirocycle Compounds and the Use Thereof PURDUE PHARMA L.P. (US) 2014-02-13 US disclosed
US-8546417-B2 Fused and spirocycle compounds and the use thereof PURDUE PHARMA L.P. (US) 2013-10-01 US disclosed
US-8546417-B2 Fused and spirocycle compounds and the use thereof PURDUE PHARMA L.P. (US) 2013-10-01 US disclosed
US-20120309778-A1 Fused and Spirocycle Compounds and the Use Thereof PURDUE PHARMA L.P. (US) 2012-12-06 US disclosed
US-20120309778-A1 Fused and Spirocycle Compounds and the Use Thereof PURDUE PHARMA L.P. (US) 2012-12-06 US disclosed
US-8193208-B2 Fused and spirocycle compounds and the use thereof PURDUE PHARMA L.P. (US) 2012-06-05 US disclosed
US-20100022595-A1 Benzenesulfonamide Compounds and Their Use as Blockers of Calcium Channels PURDUE PHARMA L.P. (CT) 2010-01-28 US disclosed
US-20100022595-A1 Benzenesulfonamide Compounds and Their Use as Blockers of Calcium Channels PURDUE PHARMA L.P. (CT) 2010-01-28 US disclosed
US-20090239910-A1 Benzenesulfonamide Compounds and Their Use EURO-CELTIQUE S.A. (LU) 2009-09-24 US disclosed
US-20090239910-A1 Benzenesulfonamide Compounds and Their Use EURO-CELTIQUE S.A. (LU) 2009-09-24 US disclosed
US-20090118319-A1 Fused and Spirocycle Compounds and the Use Thereof EURO-CELTIQUE S.A. (LU) 2009-05-07 US disclosed
US-20090118319-A1 Fused and Spirocycle Compounds and the Use Thereof EURO-CELTIQUE S.A. (LU) 2009-05-07 US disclosed
WO-2007118853-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS BLOCKERS OF CALCIUM CHANNELS EURO-CELTIQUE S.A. (LU) 2007-10-25 WO disclosed
WO-2007110449-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE EURO-CELTIQUE S.A. (LU) 2007-10-04 WO disclosed
WO-2007028638-A1 FUSED AND SPIROCYCLE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2007-03-15 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 (5 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-20100022595-A1 Benzenesulfonamide Compounds and Their Use as Blockers of Calcium Channels CACNA1A, CACNA1E, CACNA1B KDM4E 816/4885USP2 3402/4885ALDH1A1 2210/4885
US-20120309778-A1 Fused and Spirocycle Compounds and the Use Thereof CACNA1A, CACNA1E, CACNA1C KDM4E 2570/4885USP2 4819/4885ALDH1A1 1044/4885
US-20090118319-A1 Fused and Spirocycle Compounds and the Use Thereof CACNA1A, CACNA1E, CACNA1C KDM4E 2570/4885USP2 4819/4885ALDH1A1 1044/4885
US-20090239910-A1 Benzenesulfonamide Compounds and Their Use CACNA1E, CACNA1A, KCNN3 KDM4E 723/4885USP2 3239/4885ALDH1A1 1938/4885
US-20140045875-A1 Fused and Spirocycle Compounds and the Use Thereof CACNA1A, CACNA1E, CACNA1C KDM4E 2570/4885USP2 4819/4885ALDH1A1 1044/4885

“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.