SCHEMBL2747565

SCHEMBL2747565

Cc1cc(C)cc(-c2cccc(S(=O)(=O)Nc3ccsc3C(=O)O)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACLY P53396 6/20 0.56
MCL1 Q07820 2/20 0.52
NPSR1 Q6W5P4 2/20 0.46
NRP1 O14786 1/20 0.45
KDM4E B2RXH2 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
PFKFB3 Q16875 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
METAP2 P50579 1/20 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
SCHEMBL2748793 0.89 ACLY (0.62) ACLYMCL1NPSR1PFKFB3
SCHEMBL2750722 0.89 HPGD (0.59) ACLYMCL1KDM4ELMNAHPGD
SCHEMBL2747710 0.86 ACLY (0.59) ACLYMCL1NPSR1NRP1KDM4E
SCHEMBL2748413 0.84 ACLY (0.54) ACLYMCL1NPSR1KDM4ERXFP1
SCHEMBL2747563 0.80 ACLY (0.52) ACLYMCL1NPSR1NRP1PFKFB3
SCHEMBL2749317 0.80 LMNA (0.62) ACLYMCL1NPSR1PFKFB3LMNA
SCHEMBL532975 0.79 ACLY (0.69) ACLYNPSR1KDM4ELMNAHPGD
SCHEMBL2748362 0.79 ACLY (0.51) ACLYMCL1NPSR1NRP1PFKFB3
SCHEMBL1200176 0.79 ACLY (0.64) ACLYMCL1NPSR1KDM4ERXFP1
Hydrochloric Acid SCHEMBL533067 0.78 ACLY (0.68) ACLYNPSR1KDM4ELMNAHPGD

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 8 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

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 ACLY 4546/4885MCL1 1312/4885NPSR1 220/4885

“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.