SCHEMBL2747302

SCHEMBL2747302

O=C(O)c1sccc1NS(=O)(=O)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACLY P53396 2/20 0.54
POLB P06746 2/20 0.53
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
MAPT P10636 4/20 0.51
ALDH1A1 P00352 4/20 0.51
USP2 O75604 1/20 0.51
MCL1 Q07820 1/20 0.49
TSHR P16473 2/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 1/20 0.47
PKM P14618 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
CYP3A4 P08684 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTT P42858 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
SCHEMBL2747923 0.87 LMNA (0.65) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL4550967 0.81 MAPT (0.61) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL4550968 0.80 ALDH1A1 (0.52) ACLYPOLBKMT2AMEN1MAPT
SCHEMBL532975 0.78 ACLY (0.69) ACLYKMT2AMEN1ALDH1A1TSHR
SCHEMBL492007 0.77 ACLY (0.77) ACLYKMT2AMEN1ALDH1A1TSHR
SCHEMBL2747434 0.77 ACLY (0.64) ACLYPOLBKMT2AMEN1MAPT
SCHEMBL1200176 0.77 ACLY (0.64) ACLYPOLBKMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL533067 0.76 ACLY (0.68) ACLYKMT2AMEN1ALDH1A1TSHR
Hydrochloric Acid SCHEMBL492324 0.76 ACLY (0.75) ACLYKMT2AMEN1ALDH1A1TSHR
SCHEMBL2747135 0.76 ALDH1A1 (0.47) ACLYKMT2AMEN1MAPTALDH1A1

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 4546/4885POLB 4240/4885KMT2A 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.