SCHEMBL2748477

SCHEMBL2748477

O=C(O)c1sccc1NS(=O)(=O)c1ccc(C2CCCC2)cc1F

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.53
ACLY P53396 2/20 0.47
KDM4E B2RXH2 1/20 0.42
NRP1 O14786 1/20 0.42
KDM1A O60341 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP3A4 P08684 2/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
WDR5 P61964 2/20 0.38
PIK3C3 Q8NEB9 1/20 0.37
PARP14 Q460N5 1/20 0.37
ACMSD Q8TDX5 2/20 0.37
SLC10A6 Q3KNW5 1/20 0.37
CCR2 P41597 2/20 0.36
SCN9A Q15858 1/20 0.36

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
SCHEMBL4550972 0.90 KCNH2 (0.54) KCNH2ACLYKDM4ENRP1KDM1A
SCHEMBL2748212 0.89 KCNH2 (0.70) KCNH2MEN1KMT2AALDH1A1TSHR
SCHEMBL4547553 0.83 KCNH2 (0.43) KCNH2NRP1KDM1AWDR5PIK3C3
SCHEMBL2747486 0.83 KCNH2 (0.53) KCNH2ACLYKDM4ENRP1MEN1
SCHEMBL2747281 0.81 KDM1A (0.55) ACLYKDM4EKDM1AMEN1KMT2A
SCHEMBL2748631 0.77 KCNH2 (0.60) KCNH2ACLYKDM4ENRP1MEN1
SCHEMBL7531342 0.76 ACLY (0.54) KCNH2ACLYKDM4EMEN1KMT2A
SCHEMBL2747534 0.72 KCNH2 (0.70) KCNH2KDM4EMEN1KMT2AALDH1A1
SCHEMBL7531394 0.70 ACLY (0.67) KCNH2ACLYKDM4EMEN1KMT2A
SCHEMBL2746927 0.70 ACMSD (0.41) CYP3A4ACMSD

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 4765/4885ACLY 4546/4885KDM4E 2868/4885

“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.