SCHEMBL2747710

SCHEMBL2747710

Cc1cccc(C)c1-c1cccc(S(=O)(=O)Nc2ccsc2C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.59
NPSR1 Q6W5P4 3/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 2/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
NRP1 O14786 1/20 0.45
PTGES2 Q9H7Z7 2/20 0.44
MCL1 Q07820 1/20 0.44
LMNA P02545 1/20 0.44
ATM Q13315 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
KDM4E B2RXH2 1/20 0.42
RXFP1 Q9HBX9 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
SCHEMBL2748496 0.89 HPGD (0.59) ACLYHPGDTSHRPTGES2LMNA
SCHEMBL2748413 0.89 ACLY (0.54) ACLYNPSR1HPGDTSHRALOX15
SCHEMBL2748793 0.87 ACLY (0.62) ACLYNPSR1PTGES2MCL1ATM
SCHEMBL2747565 0.86 ACLY (0.56) ACLYNPSR1HPGDTSHRNRP1
SCHEMBL3972622 0.83 CASP3 (0.50) ACLYNPSR1HPGDMAPK1NRP1
SCHEMBL7537977 0.81 ACLY (0.52) ACLYNPSR1HPGDTSHRALOX15
SCHEMBL2747563 0.80 ACLY (0.52) ACLYNPSR1HPGDTSHRNRP1
SCHEMBL532975 0.79 ACLY (0.69) ACLYNPSR1HPGDTSHRLMNA
SCHEMBL2748362 0.79 ACLY (0.51) ACLYNPSR1HPGDTSHRNRP1
SCHEMBL7537970 0.79 ACLY (0.50) ACLYNPSR1HPGDTSHRALOX15

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 ACLY 4546/4885NPSR1 220/4885HPGD 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.