SCHEMBL2749201

SCHEMBL2749201

CCCOc1ccccc1-c1cccc(S(=O)(=O)Nc2ccsc2C(=O)OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
KMT2A Q03164 4/20 0.47
KCNH2 Q12809 1/20 0.46
SLC10A6 Q3KNW5 1/20 0.45
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 3/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ACLY P53396 2/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 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
SCHEMBL2747721 0.92 ACLY (0.47) KMT2AMEN1NPSR1ACLYRAB9A
SCHEMBL2749453 0.85 LMNA (0.55) LMNAHPGDTSHRKMT2AKCNH2
SCHEMBL2748673 0.83 HPGD (0.57) LMNAHPGDTSHRKMT2AKCNH2
SCHEMBL2749317 0.82 LMNA (0.62) LMNAHPGDTSHRKMT2AKCNH2
SCHEMBL2748474 0.81 LMNA (0.54) LMNAHPGDTSHRKMT2AKCNH2
SCHEMBL2750722 0.77 HPGD (0.59) LMNAHPGDTSHRKMT2AKCNH2
SCHEMBL2748496 0.77 HPGD (0.59) LMNAHPGDTSHRKMT2AKCNH2
SCHEMBL532885 0.76 LMNA (0.78) LMNAHPGDTSHRKMT2AKCNH2
SCHEMBL2747563 0.75 ACLY (0.52) LMNAHPGDTSHRNPSR1ACLY
SCHEMBL1198764 0.74 KCNH2 (0.67) LMNAHPGDTSHRKMT2AKCNH2

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 4 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
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
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 LMNA 3295/4885HPGD 2415/4885TSHR 957/4885

“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.