SCHEMBL533542

SCHEMBL533542

Cc1cc(C)c(NC(=O)c2sccc2NS(=O)(=O)c2ccccc2)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.57
METAP2 P50579 2/20 0.55
LMNA P02545 3/20 0.52
MEN1 O00255 2/20 0.52
MAPT P10636 2/20 0.52
KMT2A Q03164 2/20 0.52
EDNRA P25101 6/20 0.49
EDNRB P24530 1/20 0.49
CYTH2 Q99418 1/20 0.48
ACLY P53396 1/20 0.47
MAPK1 P28482 1/20 0.47
GRM4 Q14833 2/20 0.47
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
LCK P06239 1/20 0.45

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
SCHEMBL3975224 0.86 CYTH2 (0.43) FFAR4METAP2LMNAMEN1MAPT
SCHEMBL3971801 0.85 ACLY (0.45) FFAR4METAP2LMNAMEN1MAPT
SCHEMBL3973395 0.84 ACLY (0.44) FFAR4METAP2LMNAMEN1MAPT
SCHEMBL3981381 0.84 LMNA (0.48) FFAR4METAP2LMNAMEN1MAPT
SCHEMBL3975209 0.83 CYTH2 (0.41) FFAR4METAP2LMNAMEN1MAPT
SCHEMBL3981841 0.82 EDNRA (0.41) FFAR4METAP2LMNAMEN1MAPT
SCHEMBL7537973 0.81 LMNA (0.46) LMNAMEN1MAPTKMT2AEDNRA
SCHEMBL7531719 0.81 LMNA (0.55) LMNAMEN1MAPTKMT2AEDNRA
SCHEMBL532871 0.81 MEN1 (0.45) FFAR4METAP2LMNAMEN1MAPT
SCHEMBL3975743 0.81 KDM4E (0.41) FFAR4METAP2LMNAMEN1MAPT

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 5 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-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
US-20050049286-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS INC. 2005-03-03 US 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 (2 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 FFAR4 940/4885METAP2 168/4885LMNA 3809/4885
US-20070293503-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 FFAR4 940/4885METAP2 168/4885LMNA 3809/4885

“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.