SCHEMBL3977879

SCHEMBL3977879

Cc1cc(C)c(C2CCCC2)c(C)c1NC(=O)c1sccc1NS(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
KDM4E B2RXH2 3/20 0.43
GAA P10253 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP3A4 P08684 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
FFAR4 Q5NUL3 1/20 0.40
LMNA P02545 3/20 0.39
METAP2 P50579 2/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
EDNRA P25101 1/20 0.39
KCNH2 Q12809 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38

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 0.91 KDM4E (0.41) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL5549134 0.90 HSD17B2 (0.42) KMT2AMEN1LMNAHPGDTSHR
SCHEMBL3981841 0.87 EDNRA (0.41) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL3972658 0.82 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL1199624 0.80 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL1199599 0.78 HTT (0.47) ALDH1A1KMT2AMEN1KDM4ECYP2C9
SCHEMBL1199355 0.78 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL1199774 0.76 HTT (0.46) ALDH1A1KMT2AMEN1KDM4ECYP2C9
SCHEMBL3978023 0.75 MEN1 (0.40) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL1199467 0.75 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1KDM4EGAA

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 ALDH1A1 3281/4885KMT2A 3063/4885MEN1 3986/4885
US-20070293503-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 ALDH1A1 3281/4885KMT2A 3063/4885MEN1 3986/4885

“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.