SCHEMBL2747281

SCHEMBL2747281

O=C(O)c1sccc1NS(=O)(=O)c1ccc(C2CCCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.55
ACLY P53396 1/20 0.55
ALDH1A1 P00352 4/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
POLB P06746 1/20 0.55
PTGES2 Q9H7Z7 1/20 0.52
LMNA P02545 7/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
MAPT P10636 3/20 0.50
TP53 P04637 1/20 0.50
ATM Q13315 1/20 0.50
MCL1 Q07820 1/20 0.49
BCL2A1 Q16548 1/20 0.49
TSHR P16473 2/20 0.48
HPGD P15428 2/20 0.48
PGAM1 P18669 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL2748805 0.87 LMNA (0.67) KDM1AALDH1A1MEN1KMT2APOLB
SCHEMBL2748477 0.81 KCNH2 (0.53) KDM1AACLYALDH1A1MEN1KMT2A
SCHEMBL7530861 0.79 KDM4E (0.61) ACLYALDH1A1MEN1KMT2ALMNA
SCHEMBL532975 0.79 ACLY (0.69) ACLYALDH1A1MEN1KMT2ALMNA
SCHEMBL1200176 0.78 ACLY (0.64) ACLYALDH1A1MEN1KMT2APOLB
SCHEMBL2747434 0.78 ACLY (0.64) KDM1AACLYMEN1KMT2APOLB
SCHEMBL492007 0.78 ACLY (0.77) ACLYALDH1A1MEN1KMT2ALMNA
SCHEMBL4526064 0.78 KMT2A (0.61) ALDH1A1MEN1KMT2ALMNAMAPT
Hydrochloric Acid SCHEMBL533067 0.77 ACLY (0.68) ACLYALDH1A1MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL492324 0.77 ACLY (0.75) ACLYALDH1A1MEN1KMT2ALMNA

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 KDM1A 3375/4885ACLY 4546/4885ALDH1A1 1580/4885

“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.