SCHEMBL2749565

SCHEMBL2749565

COC(=O)c1sccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1F

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.77
PARP14 Q460N5 1/20 0.62
SLC10A6 Q3KNW5 1/20 0.55
TSHR P16473 2/20 0.54
LMNA P02545 1/20 0.54
HPGD P15428 1/20 0.54
ALDH1A1 P00352 5/20 0.46
MAPT P10636 3/20 0.46
CCR9 P51686 1/20 0.45
MAPK10 P53779 2/20 0.44
MAPK8 P45983 1/20 0.44
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
PKM P14618 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL2748631 0.88 KCNH2 (0.60) KCNH2PARP14SLC10A6TSHRLMNA
SCHEMBL2747327 0.88 KCNH2 (0.63) KCNH2PARP14SLC10A6TSHRLMNA
SCHEMBL1199270 0.87 KCNH2 (1.00) KCNH2PARP14SLC10A6TSHRLMNA
SCHEMBL2748755 0.86 KCNH2 (0.60) KCNH2PARP14SLC10A6TSHRLMNA
SCHEMBL2747985 0.86 KCNH2 (0.60) KCNH2PARP14SLC10A6TSHRLMNA
SCHEMBL2747712 0.86 KCNH2 (0.60) KCNH2PARP14SLC10A6TSHRLMNA
SCHEMBL2748850 0.86 KCNH2 (0.60) KCNH2PARP14SLC10A6TSHRLMNA
SCHEMBL1199591 0.86 KCNH2 (0.80) KCNH2PARP14SLC10A6TSHRLMNA
SCHEMBL2749678 0.85 KCNH2 (0.59) KCNH2PARP14SLC10A6TSHRLMNA
SCHEMBL1200118 0.85 KCNH2 (0.79) KCNH2PARP14SLC10A6TSHRLMNA

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 2997/4885SLC10A6 2747/4885

“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.