SCHEMBL2748573

SCHEMBL2748573

COC(=O)c1sccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1Br

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 1/20 0.71
KCNH2 Q12809 1/20 0.61
HPGD P15428 2/20 0.52
TSHR P16473 2/20 0.52
LMNA P02545 1/20 0.52
SLC10A6 Q3KNW5 1/20 0.51
MAPK10 P53779 2/20 0.50
MAPK8 P45983 1/20 0.50
MCL1 Q07820 1/20 0.45
ALDH1A1 P00352 4/20 0.44
GAA P10253 2/20 0.44
CCKBR P32239 1/20 0.44
EDNRA P25101 1/20 0.43
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
PTPN1 P18031 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL2747712 0.91 KCNH2 (0.60) PARP14KCNH2HPGDTSHRLMNA
SCHEMBL2747519 0.88 PARP14 (0.55) PARP14KCNH2TSHRMCL1GAA
SCHEMBL1200004 0.87 PARP14 (0.71) PARP14KCNH2HPGDTSHRLMNA
SCHEMBL1199233 0.82 LMNA (0.73) PARP14KCNH2HPGDTSHRLMNA
SCHEMBL2749565 0.80 KCNH2 (0.77) PARP14KCNH2HPGDTSHRLMNA
SCHEMBL1200684 0.80 PARP14 (0.62) PARP14KCNH2HPGDTSHRLMNA
SCHEMBL2747327 0.80 KCNH2 (0.63) PARP14KCNH2HPGDTSHRLMNA
SCHEMBL2747588 0.80 ACLY (0.51) PARP14KCNH2HPGDTSHRLMNA
SCHEMBL2747876 0.78 PARP14 (0.59) PARP14KCNH2HPGDTSHRLMNA
SCHEMBL2748850 0.78 KCNH2 (0.60) PARP14KCNH2HPGDTSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178699-B2 Modulators of CCR9 receptor and methods of use thereof PFIZER INC. (US) 2012-05-15 US disclosed
US-8178699-B2 Modulators of CCR9 receptor and methods of use thereof PFIZER INC. (US) 2012-05-15 US disclosed
US-8178699-B2 Modulators of CCR9 receptor and methods of use thereof PFIZER INC. (US) 2012-05-15 US disclosed
EP-2220065-A2 MODULATORS OF CCR9 RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-08-25 EP disclosed
US-20100029753-A1 MODULATORS OF CCR9 RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. 2010-02-04 US disclosed
US-20100029753-A1 MODULATORS OF CCR9 RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. 2010-02-04 US disclosed
US-20100029753-A1 MODULATORS OF CCR9 RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. 2010-02-04 US disclosed
WO-2009017719-A2 MODULATORS OF CCR9 RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2009-02-05 WO disclosed
WO-2009017719-A2 MODULATORS OF CCR9 RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2009-02-05 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 (1 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-20100029753-A1 MODULATORS OF CCR9 RECEPTOR AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 PARP14 2997/4885KCNH2 4765/4885HPGD 2415/4885

“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.