SCHEMBL2748472

SCHEMBL2748472

COC(=O)c1sccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1-c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.54
PARP14 Q460N5 1/20 0.54
KMT2A Q03164 1/20 0.49
HPGD P15428 2/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
SLC10A6 Q3KNW5 1/20 0.48
NOD2 Q9HC29 1/20 0.46
POLB P06746 1/20 0.46
CCR9 P51686 1/20 0.45
ALDH1A1 P00352 6/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
NPSR1 Q6W5P4 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
CCR2 P41597 1/20 0.44
MAPT P10636 4/20 0.43
RAB9A P51151 2/20 0.43

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
SCHEMBL2747267 0.90 ACLY (0.54) KCNH2PARP14KMT2ATSHRCCR9
SCHEMBL2749038 0.90 KCNH2 (0.56) KCNH2PARP14HPGDLMNATSHR
SCHEMBL2748278 0.89 KCNH2 (0.52) KCNH2PARP14KMT2AHPGDLMNA
SCHEMBL2748612 0.89 KCNH2 (0.53) KCNH2PARP14HPGDLMNATSHR
SCHEMBL2748755 0.85 KCNH2 (0.60) KCNH2PARP14KMT2AHPGDLMNA
SCHEMBL2748487 0.85 KCNH2 (0.53) KCNH2PARP14HPGDLMNATSHR
SCHEMBL2748820 0.84 KCNH2 (0.53) KCNH2PARP14KMT2AHPGDLMNA
SCHEMBL2748764 0.83 KCNH2 (0.62) KCNH2PARP14KMT2AHPGDLMNA
SCHEMBL2747327 0.83 KCNH2 (0.63) KCNH2PARP14HPGDLMNATSHR
SCHEMBL2750465 0.82 KCNH2 (0.50) KCNH2PARP14KMT2AHPGDLMNA

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 2997/4885KMT2A 3361/4885

“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.