SCHEMBL3973255

SCHEMBL3973255

Cc1cccc(S(=O)(=O)Nc2ccsc2C(=O)Nc2c(C)cc(C)c(N3CCCC3)c2C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.43
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
MAPT P10636 5/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
DUSP3 P51452 1/20 0.41
PTPN5 P54829 1/20 0.41
PTPN11 Q06124 1/20 0.41
EDNRA P25101 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 4/20 0.37
SLC40A1 Q9NP59 1/20 0.36
MAPK1 P28482 1/20 0.36
SLC10A2 Q12908 1/20 0.36
SLC10A1 Q14973 1/20 0.36
SLC10A6 Q3KNW5 1/20 0.36

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
SCHEMBL532871 0.92 MEN1 (0.45) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL3979216 0.91 RAB9A (0.42) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL3976455 0.91 ACLY (0.42) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL3976237 0.91 MEN1 (0.44) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL3977279 0.91 FFAR4 (0.45) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL3975595 0.90 KMT2A (0.45) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL3976652 0.89 NPSR1 (0.48) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL3976014 0.87 SLC40A1 (0.40) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL3973861 0.87 LMNA (0.42) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL3981372 0.87 EDNRA (0.41) MEN1KMT2AMAPTALDH1A1KDM4E

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 RAD52 2840/4885MEN1 3986/4885KMT2A 3063/4885
US-20070293503-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 RAD52 2840/4885MEN1 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.