SCHEMBL532776

SCHEMBL532776

Cc1cc(C)c(N2CCCC2)c(C)c1NS(=O)(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.54
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
POLB P06746 1/20 0.53
CYTH2 Q99418 2/20 0.51
LMNA P02545 2/20 0.50
METAP2 P50579 1/20 0.46
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 1/20 0.42
RECQL P46063 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL534077 0.92 TSHR (0.47) FFAR4MEN1KMT2APOLBCYTH2
SCHEMBL533017 0.89 FFAR4 (0.55) FFAR4MEN1KMT2APOLBCYTH2
SCHEMBL534045 0.88 TP53 (0.48) FFAR4MEN1KMT2APOLBLMNA
SCHEMBL533666 0.87 FFAR4 (0.56) FFAR4MEN1KMT2APOLBLMNA
SCHEMBL533437 0.87 CYTH2 (0.49) FFAR4MEN1KMT2APOLBCYTH2
SCHEMBL533055 0.87 ALDH1A1 (0.45) FFAR4MEN1KMT2APOLBALDH1A1
SCHEMBL532880 0.87 FFAR4 (0.56) FFAR4MEN1KMT2APOLBLMNA
SCHEMBL533534 0.86 POLB (0.47) FFAR4MEN1KMT2APOLBLMNA
SCHEMBL533059 0.86 MEN1 (0.55) FFAR4MEN1KMT2APOLBLMNA
SCHEMBL532980 0.85 JAK2 (0.48) MEN1KMT2APOLBLMNAALDH1A1

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
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-7319111-B2 Phenylenediamine Urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-15 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
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

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 FFAR4 940/4885MEN1 3986/4885KMT2A 3063/4885
US-20040180892-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 FFAR4 940/4885MEN1 3986/4885KMT2A 3063/4885
US-20070293503-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 FFAR4 940/4885MEN1 3986/4885KMT2A 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.