SCHEMBL2747985

SCHEMBL2747985

COC(=O)c1sccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1I

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.60
PARP14 Q460N5 1/20 0.59
HPGD P15428 4/20 0.54
TSHR P16473 2/20 0.54
LMNA P02545 2/20 0.54
SLC10A6 Q3KNW5 1/20 0.53
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
CCR9 P51686 1/20 0.45
MAPK10 P53779 4/20 0.45
NLRP1 Q9C000 1/20 0.45
NPSR1 Q6W5P4 3/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.44
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
POLB P06746 2/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL2747327 0.88 KCNH2 (0.63) KCNH2PARP14HPGDTSHRLMNA
SCHEMBL2747712 0.86 KCNH2 (0.60) KCNH2PARP14HPGDTSHRLMNA
SCHEMBL2748850 0.86 KCNH2 (0.60) KCNH2PARP14HPGDTSHRLMNA
SCHEMBL2749565 0.86 KCNH2 (0.77) KCNH2PARP14HPGDTSHRLMNA
SCHEMBL2748755 0.86 KCNH2 (0.60) KCNH2PARP14HPGDTSHRLMNA
SCHEMBL2749678 0.85 KCNH2 (0.59) KCNH2PARP14HPGDTSHRLMNA
SCHEMBL2750845 0.84 KCNH2 (0.58) KCNH2PARP14HPGDTSHRLMNA
SCHEMBL13953841 0.84 KCNH2 (0.58) KCNH2PARP14HPGDTSHRLMNA
SCHEMBL2748427 0.84 KCNH2 (0.57) KCNH2PARP14HPGDTSHRLMNA
SCHEMBL2748400 0.83 KCNH2 (0.56) KCNH2PARP14HPGDTSHRLMNA

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 KCNH2 4765/4885PARP14 2997/4885HPGD 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.