SCHEMBL533676

SCHEMBL533676

COc1c(Cl)cc(Cl)cc1S(=O)(=O)Nc1c(C)cc(C)c(N2CCCCC2)c1C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACLY P53396 8/20 0.46
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 4/20 0.38
LMNA P02545 3/20 0.38
MEN1 O00255 2/20 0.38
HTR6 P50406 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
HPGD P15428 2/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
THRB P10828 1/20 0.35
APP P05067 1/20 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
SCHEMBL533015 0.85 ACLY (0.54) ACLY
SCHEMBL533656 0.84 ACLY (0.39) ACLYKMT2ALMNAHPGDPOLB
SCHEMBL533460 0.84 ALDH1A1 (0.42) ALDH1A1KMT2ALMNAMEN1FFAR4
SCHEMBL532815 0.84 ACLY (0.53) ACLY
SCHEMBL532966 0.83 KMT2A (0.43) ACLYKMT2ALMNAHPGDPOLB
SCHEMBL14288678 0.82 ALDH1A1 (0.52) ACLYALDH1A1KMT2ALMNAMEN1
SCHEMBL533942 0.81 L3MBTL1 (0.48) ALDH1A1KMT2ALMNAMEN1HPGD
SCHEMBL14288635 0.81 ACLY (0.37) ACLYKMT2ALMNAHPGDPOLB
SCHEMBL532997 0.80 ACLY (0.39) ACLYALDH1A1KMT2ALMNAMEN1
SCHEMBL533043 0.80 ALDH1A1 (0.43) ALDH1A1KMT2ALMNAMEN1FFAR4

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 12 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
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
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 ACLY 4820/4885ALDH1A1 3281/4885KMT2A 3063/4885
US-20040180892-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 ACLY 4820/4885ALDH1A1 3281/4885KMT2A 3063/4885
US-20070293503-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 ACLY 4820/4885ALDH1A1 3281/4885KMT2A 3063/4885

“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.