SCHEMBL3972622

SCHEMBL3972622

Cc1cccc(C)c1-c1cccc(NC(=O)c2sccc2NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
NPSR1 Q6W5P4 2/20 0.46
ACLY P53396 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
NRP1 O14786 1/20 0.43
GPR27 Q9NS67 4/20 0.43
KDM4E B2RXH2 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
APOB P04114 1/20 0.42
MTTP P55157 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL7569195 0.89 MEN1 (0.49) CASP3SENP8SENP7SENP6NPSR1
SCHEMBL7538859 0.86 ACLY (0.53) CASP3SENP8SENP7SENP6NPSR1
SCHEMBL7537211 0.83 KMT2A (0.55) CASP3SENP8SENP7SENP6NPSR1
SCHEMBL2747710 0.83 ACLY (0.59) CASP3SENP8SENP7SENP6NPSR1
SCHEMBL7533623 0.82 ACLY (0.55) NPSR1ACLYMEN1KMT2AALDH1A1
SCHEMBL7531331 0.81 DHODH (0.55) NPSR1ACLYMEN1KMT2AALDH1A1
SCHEMBL3973395 0.81 ACLY (0.44) CASP3SENP8SENP7SENP6NPSR1
SCHEMBL7537973 0.81 LMNA (0.46) CASP3SENP8SENP7SENP6NPSR1
SCHEMBL7533940 0.80 RAB9A (0.56) CASP3SENP8SENP7SENP6ACLY
SCHEMBL7537030 0.80 MAPT (0.53) NPSR1ACLYMEN1KMT2AALDH1A1

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 CASP3 3348/4885SENP8 4082/4885SENP7 3727/4885
US-20070293503-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 CASP3 3348/4885SENP8 4082/4885SENP7 3727/4885

“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.