SCHEMBL3971801

SCHEMBL3971801

Cc1cc(C)c(-c2ccccc2)c(C)c1NC(=O)c1sccc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 2/20 0.45
NPSR1 Q6W5P4 2/20 0.43
CYTH2 Q99418 1/20 0.43
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.42
HPGD P15428 1/20 0.42
EDNRA P25101 2/20 0.42
FFAR4 Q5NUL3 1/20 0.41
METAP2 P50579 2/20 0.41
KDM4E B2RXH2 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.40
MCL1 Q07820 2/20 0.40
NRP1 O14786 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
SCHEMBL3973395 0.91 ACLY (0.44) ACLYNPSR1CYTH2LMNATSHR
SCHEMBL3975224 0.87 CYTH2 (0.43) ACLYNPSR1CYTH2LMNATSHR
SCHEMBL533542 0.85 FFAR4 (0.57) ACLYCYTH2LMNATSHRHPGD
SCHEMBL3981381 0.85 LMNA (0.48) ACLYCYTH2LMNATSHRHPGD
SCHEMBL3975209 0.84 CYTH2 (0.41) ACLYNPSR1CYTH2LMNATSHR
SCHEMBL3981841 0.83 EDNRA (0.41) ACLYNPSR1CYTH2LMNATSHR
SCHEMBL532871 0.82 MEN1 (0.45) ACLYCYTH2LMNATSHRHPGD
SCHEMBL3975743 0.82 KDM4E (0.41) ACLYNPSR1CYTH2LMNATSHR
SCHEMBL3976237 0.81 MEN1 (0.44) ACLYCYTH2LMNATSHRHPGD
SCHEMBL3972622 0.80 CASP3 (0.50) ACLYNPSR1LMNAHPGDKDM4E

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 8 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 claimed
US-20070293503-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. 2007-12-20 US claimed
US-7288538-B2 Cardiovascular homeostasis through combination of direct neuronal control and systemic neurohormonal activation ENCYSIVE PHARMACEUTICALS, INC. (US) 2007-10-30 US claimed
US-20050049286-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS INC. 2005-03-03 US claimed
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 ACLY 4820/4885NPSR1 275/4885CYTH2 187/4885
US-20070293503-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 ACLY 4820/4885NPSR1 275/4885CYTH2 187/4885

“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.