SCHEMBL3981841

SCHEMBL3981841

Cc1cc(C)c(C2CC2)c(C)c1NC(=O)c1sccc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 4/20 0.41
CYTH2 Q99418 1/20 0.40
ACLY P53396 1/20 0.40
LMNA P02545 3/20 0.40
TSHR P16473 2/20 0.40
HPGD P15428 2/20 0.40
METAP2 P50579 2/20 0.39
FFAR4 Q5NUL3 1/20 0.39
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 4/20 0.38
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 3/20 0.37
HTT P42858 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL3975743 0.96 KDM4E (0.41) EDNRACYTH2ACLYLMNATSHR
SCHEMBL3977879 0.87 ALDH1A1 (0.43) EDNRALMNATSHRHPGDMETAP2
SCHEMBL5549134 0.86 HSD17B2 (0.42) EDNRALMNATSHRHPGDMEN1
SCHEMBL3975224 0.84 CYTH2 (0.43) EDNRACYTH2ACLYLMNATSHR
SCHEMBL3971801 0.83 ACLY (0.45) EDNRACYTH2ACLYLMNATSHR
SCHEMBL533542 0.82 FFAR4 (0.57) EDNRACYTH2ACLYLMNATSHR
SCHEMBL3973395 0.82 ACLY (0.44) EDNRACYTH2ACLYLMNATSHR
SCHEMBL3981381 0.82 LMNA (0.48) EDNRACYTH2ACLYLMNATSHR
SCHEMBL3975209 0.82 CYTH2 (0.41) EDNRACYTH2ACLYLMNATSHR
SCHEMBL532871 0.81 MEN1 (0.45) EDNRACYTH2ACLYLMNATSHR

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 EDNRA 129/4885CYTH2 187/4885ACLY 4820/4885
US-20070293503-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 EDNRA 129/4885CYTH2 187/4885ACLY 4820/4885

“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.