SCHEMBL2747439

SCHEMBL2747439

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccsc2C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.60
CCR9 P51686 2/20 0.60
LMNA P02545 1/20 0.55
HPGD P15428 1/20 0.55
TSHR P16473 1/20 0.55
HSD17B2 P37059 7/20 0.53
UQCRB P14927 2/20 0.53
PTPN5 P54829 1/20 0.50
PSD A5PKW4 1/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
HDAC3 O15379 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48

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
SCHEMBL2747420 0.87 ACLY (0.55) ACLYCCR9LMNAHPGDTSHR
SCHEMBL2747919 0.87 LMNA (0.74) CCR9LMNAHPGDTSHRHSD17B2
SCHEMBL1200176 0.85 ACLY (0.64) ACLYLMNAHPGDTSHRALDH1A1
SCHEMBL2747643 0.83 ACLY (0.53) ACLYCCR9LMNAHPGDTSHR
SCHEMBL2748301 0.83 ACLY (0.50) ACLYCCR9LMNAHPGDTSHR
SCHEMBL532975 0.83 ACLY (0.69) ACLYLMNAHPGDTSHRALDH1A1
SCHEMBL2748302 0.83 ACLY (0.55) ACLYCCR9LMNAHPGDTSHR
SCHEMBL7530793 0.82 LMNA (0.80) ACLYLMNAHPGDTSHRALDH1A1
SCHEMBL2747872 0.82 ACLY (0.52) ACLYCCR9LMNAHPGDTSHR
SCHEMBL492007 0.82 ACLY (0.77) ACLYCCR9LMNAHPGDTSHR

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 4546/4885CCR9 1/4885LMNA 3295/4885

“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.