SCHEMBL533437

SCHEMBL533437

Cc1cc(C)c(N2CCCC2)c(C)c1NS(=O)(=O)c1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYTH2 Q99418 4/20 0.49
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
POLB P06746 2/20 0.45
GAA P10253 2/20 0.44
MAPT P10636 4/20 0.44
TP53 P04637 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 2/20 0.43
RECQL P46063 1/20 0.43
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
FFAR4 Q5NUL3 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
EDNRA P25101 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
SCHEMBL533017 0.90 FFAR4 (0.55) CYTH2MEN1KMT2APOLBGAA
SCHEMBL533055 0.87 ALDH1A1 (0.45) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL533666 0.87 FFAR4 (0.56) MEN1KMT2APOLBGAAMAPT
SCHEMBL532880 0.87 FFAR4 (0.56) MEN1KMT2APOLBGAAMAPT
SCHEMBL532776 0.87 FFAR4 (0.54) CYTH2MEN1KMT2APOLBGAA
SCHEMBL533059 0.86 MEN1 (0.55) MEN1KMT2APOLBGAAMAPT
SCHEMBL533091 0.85 BRPF1 (0.52) MEN1KMT2AGAAMAPTTP53
SCHEMBL532953 0.85 FFAR4 (0.59) CYTH2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL534816 0.85 MAPT (0.41) CYTH2MEN1KMT2APOLBMAPT
SCHEMBL534077 0.85 TSHR (0.47) CYTH2MEN1KMT2APOLBGAA

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 CYTH2 187/4885MEN1 3986/4885KMT2A 3063/4885
US-20040180892-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 CYTH2 187/4885MEN1 3986/4885KMT2A 3063/4885
US-20070293503-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 CYTH2 187/4885MEN1 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.