SCHEMBL532880

SCHEMBL532880

Cc1cc(C)c(N2CCCC2)c(C)c1NS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 3/20 0.56
▸ MAPT P10636 5/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ TP53 P04637 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ KMT2A Q03164 3/20 0.50
▸ ALDH1A1 P00352 4/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ APAF1 O14727 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ RECQL P46063 2/20 0.46
▸ DRD2 P14416 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ HTR6 P50406 1/20 0.46
▸ LMNA P02545 2/20 0.44

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
SCHEMBL10092382 0.90 FFAR4 (0.53) FFAR4MAPTSMN1; SMN2TP53POLB
SCHEMBL533017 0.90 FFAR4 (0.55) FFAR4MAPTSMN1; SMN2TP53POLB
SCHEMBL532992 0.89 TP53 (0.53) FFAR4MAPTSMN1; SMN2TP53POLB
SCHEMBL534816 0.88 MAPT (0.41) FFAR4MAPTSMN1; SMN2TP53POLB
SCHEMBL532951 0.88 EDNRB (0.45) FFAR4MAPTSMN1; SMN2TP53POLB
SCHEMBL533437 0.87 CYTH2 (0.49) FFAR4MAPTSMN1; SMN2TP53POLB
SCHEMBL533055 0.87 ALDH1A1 (0.45) FFAR4MAPTSMN1; SMN2POLBKMT2A
SCHEMBL533666 0.87 FFAR4 (0.56) FFAR4MAPTTP53POLBKMT2A
SCHEMBL532776 0.87 FFAR4 (0.54) FFAR4MAPTTP53POLBKMT2A
SCHEMBL534077 0.85 TSHR (0.47) FFAR4MAPTTP53POLBKMT2A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415760-A2 CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2012-02-08 — — EP disclosed
US-7579340-B2 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists PFIZER INC (US) 2009-08-25 — — US disclosed
US-7319111-B2 Phenylenediamine Urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-15 — — US disclosed
US-7319111-B2 Phenylenediamine Urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-15 — — US disclosed
US-7319111-B2 Phenylenediamine Urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-15 — — 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
EP-1610753-A4 PHENYLENEDIAMINE UROTENSIN-II RECEPTOR ANTAGONISTS AND CCR-9 ANTAGONISTS ENCYSIVE PHARMACEUTICALS INC (US) 2007-07-04 — — EP disclosed
EP-1610753-A2 PHENYLENEDIAMINE UROTENSIN-II RECEPTOR ANTAGONISTS AND CCR-9 ANTAGONISTS ENCYSIVE PHARMACEUTICALS INC. (US) 2006-01-04 — — EP disclosed
US-20050049286-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS INC. 2005-03-03 — — US disclosed
US-20040180892-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS INC. 2004-09-16 — — US disclosed
WO-2004073634-A2 PHENYLENEDIAMINE UROTENSIN-II RECEPTOR ANTAGONISTS AND CCR-9 ANTAGONISTS ENCYSIVE PHARMACEUTICALS INC. (US) 2004-09-02 — — WO 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 (3 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 FFAR4 940/4885MAPT 2351/4885SMN1; SMN2 2652/4885
US-20040180892-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 FFAR4 940/4885MAPT 2351/4885SMN1; SMN2 2652/4885
US-20070293503-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 FFAR4 940/4885MAPT 2351/4885SMN1; SMN2 2652/4885

“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.

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