SCHEMBL533012

SCHEMBL533012

Cc1cc(C)c(N2CCCC2)c(C)c1NS(=O)(=O)c1ccsc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
CYP3A4 P08684 2/20 0.56
HSD17B10 Q99714 1/20 0.56
EDNRA P25101 10/20 0.48
MAPT P10636 2/20 0.47
TSHR P16473 1/20 0.46
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
DUSP3 P51452 1/20 0.40
PTPN5 P54829 1/20 0.40
PTPN11 Q06124 1/20 0.40
CCKBR P32239 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FABP4 P15090 1/20 0.39
EDNRB P24530 1/20 0.39

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
SCHEMBL533565 0.89 MAPT (0.61) MEN1KMT2ACYP3A4HSD17B10EDNRA
SCHEMBL532974 0.84 EDNRA (0.49) MEN1KMT2ACYP3A4HSD17B10EDNRA
SCHEMBL3972434 0.81 MAPT (0.49) MEN1KMT2AEDNRAMAPTKDM4E
SCHEMBL3977551 0.79 MEN1 (0.48) MEN1KMT2ACYP3A4HSD17B10EDNRA
SCHEMBL532858 0.79 EDNRA (0.47) MEN1KMT2ACYP3A4HSD17B10EDNRA
SCHEMBL3975239 0.79 EDNRA (0.46) MEN1KMT2ACYP3A4HSD17B10EDNRA
SCHEMBL533059 0.77 MEN1 (0.55) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL7048202 0.77 EDNRA (0.77) EDNRAEDNRB
SCHEMBL3974388 0.77 MAPT (0.49) MEN1KMT2AEDNRAMAPTKDM4E
SCHEMBL532980 0.77 JAK2 (0.48) MEN1KMT2ACYP3A4EDNRAMAPT

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 MEN1 3986/4885KMT2A 3063/4885CYP3A4 4199/4885
US-20040180892-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 MEN1 3986/4885KMT2A 3063/4885CYP3A4 4199/4885
US-20070293503-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 MEN1 3986/4885KMT2A 3063/4885CYP3A4 4199/4885

“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.