SCHEMBL532881

SCHEMBL532881

Cc1cc(C)c(N2CCCC2)c(C)c1NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
MAPT P10636 5/20 0.38
TDP1 Q9NUW8 1/20 0.38
MCOLN2 Q8IZK6 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
FFAR4 Q5NUL3 1/20 0.35
POLB P06746 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
FKBP1A P62942 1/20 0.34
CCR10 P46092 4/20 0.34
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KMT2A Q03164 2/20 0.34

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
SCHEMBL533656 0.86 ACLY (0.39) GAAL3MBTL1MAPTTDP1POLB
SCHEMBL532951 0.85 EDNRB (0.45) GAAL3MBTL1MAPTTDP1MCOLN2
SCHEMBL534044 0.83 MAPT (0.43) GAAMAPTTDP1FFAR4POLB
SCHEMBL532880 0.82 FFAR4 (0.56) GAAL3MBTL1MAPTTDP1MCOLN2
SCHEMBL533055 0.82 ALDH1A1 (0.45) MAPTTDP1FFAR4POLBSMN1; SMN2
SCHEMBL533017 0.80 FFAR4 (0.55) GAAL3MBTL1MAPTTDP1FFAR4
SCHEMBL532776 0.80 FFAR4 (0.54) GAAL3MBTL1MAPTTDP1FFAR4
SCHEMBL534052 0.78 MEN1 (0.47) GAAL3MBTL1MAPTMCOLN2POLB
SCHEMBL534816 0.78 MAPT (0.41) MAPTMCOLN2FFAR4POLBSMN1; SMN2
SCHEMBL533437 0.78 CYTH2 (0.49) GAAMAPTTDP1FFAR4POLB

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415760-A2 CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2012-02-08 EP disclosed
US-7579340-B2 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists PFIZER INC (US) 2009-08-25 US disclosed
US-7319111-B2 Phenylenediamine Urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-15 US disclosed
US-20070293503-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. 2007-12-20 US disclosed
US-7288538-B2 Cardiovascular homeostasis through combination of direct neuronal control and systemic neurohormonal activation ENCYSIVE PHARMACEUTICALS, INC. (US) 2007-10-30 US disclosed
EP-1610753-A4 PHENYLENEDIAMINE UROTENSIN-II RECEPTOR ANTAGONISTS AND CCR-9 ANTAGONISTS ENCYSIVE PHARMACEUTICALS INC (US) 2007-07-04 EP disclosed
EP-1610753-A2 PHENYLENEDIAMINE UROTENSIN-II RECEPTOR ANTAGONISTS AND CCR-9 ANTAGONISTS ENCYSIVE PHARMACEUTICALS INC. (US) 2006-01-04 EP disclosed
US-20050049286-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS INC. 2005-03-03 US disclosed
US-20040180892-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS INC. 2004-09-16 US disclosed
WO-2004073634-A2 PHENYLENEDIAMINE UROTENSIN-II RECEPTOR ANTAGONISTS AND CCR-9 ANTAGONISTS ENCYSIVE PHARMACEUTICALS INC. (US) 2004-09-02 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 (3 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-20050049286-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 GAA 2037/4885L3MBTL1 4276/4885MAPT 2351/4885
US-20040180892-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 GAA 2037/4885L3MBTL1 4276/4885MAPT 2351/4885
US-20070293503-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 GAA 2037/4885L3MBTL1 4276/4885MAPT 2351/4885

“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.