SCHEMBL3981381

SCHEMBL3981381

COc1c(C)cc(C)c(NC(=O)c2sccc2NS(=O)(=O)c2ccccc2)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
TSHR P16473 2/20 0.48
HPGD P15428 2/20 0.48
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
GAA P10253 4/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 2/20 0.42
TP53 P04637 1/20 0.42
CYTH2 Q99418 2/20 0.42
ACLY P53396 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41
METAP2 P50579 1/20 0.41
EDNRA P25101 2/20 0.40
KDM4E B2RXH2 1/20 0.40
DUSP3 P51452 1/20 0.40
PTPN5 P54829 1/20 0.40
PTPN11 Q06124 1/20 0.40
KEAP1 Q14145 1/20 0.40

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) LMNATSHRHPGDKMT2AMEN1
SCHEMBL3971801 0.85 ACLY (0.45) LMNATSHRHPGDKMT2AMEN1
SCHEMBL533542 0.84 FFAR4 (0.57) LMNATSHRHPGDKMT2AMEN1
SCHEMBL3973395 0.84 ACLY (0.44) LMNATSHRHPGDKMT2AMEN1
SCHEMBL3975209 0.83 CYTH2 (0.41) LMNATSHRHPGDKMT2AMEN1
SCHEMBL3981841 0.82 EDNRA (0.41) LMNATSHRHPGDKMT2AMEN1
SCHEMBL7531719 0.81 LMNA (0.55) LMNATSHRHPGDKMT2AMEN1
SCHEMBL3975743 0.81 KDM4E (0.41) LMNATSHRHPGDKMT2AMEN1
SCHEMBL532871 0.81 MEN1 (0.45) LMNATSHRHPGDKMT2AMEN1
SCHEMBL3976237 0.80 MEN1 (0.44) LMNATSHRHPGDKMT2AMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 LMNA 3809/4885TSHR 1741/4885HPGD 1517/4885
US-20070293503-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 LMNA 3809/4885TSHR 1741/4885HPGD 1517/4885

“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.