SCHEMBL532992

SCHEMBL532992

Cc1cc(C)c(N2CCOCC2)c(C)c1NS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.53
FFAR4 Q5NUL3 1/20 0.52
PHGDH O43175 1/20 0.50
MAPT P10636 4/20 0.48
USP2 O75604 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
POLB P06746 3/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
ALOX15 P16050 1/20 0.46
HTT P42858 1/20 0.46
BRD4 O60885 1/20 0.44
GAA P10253 1/20 0.43
RECQL P46063 1/20 0.43
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL532880 0.89 FFAR4 (0.56) TP53FFAR4MAPTSMN1; SMN2POLB
SCHEMBL10092382 0.87 FFAR4 (0.53) TP53FFAR4MAPTSMN1; SMN2POLB
SCHEMBL1198924 0.82 TP53 (0.44) TP53MAPTALDH1A1LMNAKMT2A
SCHEMBL533495 0.79 ACLY (0.57) MAPTSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL533017 0.79 FFAR4 (0.55) TP53FFAR4MAPTUSP2SMN1; SMN2
SCHEMBL534816 0.77 MAPT (0.41) TP53FFAR4MAPTSMN1; SMN2POLB
SCHEMBL532951 0.77 EDNRB (0.45) TP53FFAR4MAPTSMN1; SMN2POLB
SCHEMBL533437 0.77 CYTH2 (0.49) TP53FFAR4MAPTSMN1; SMN2POLB
SCHEMBL533055 0.77 ALDH1A1 (0.45) FFAR4MAPTSMN1; SMN2POLBALDH1A1
SCHEMBL533666 0.77 FFAR4 (0.56) TP53FFAR4MAPTPOLBALDH1A1

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 9 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
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

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 TP53 4487/4885FFAR4 940/4885PHGDH 3360/4885
US-20040180892-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 TP53 4487/4885FFAR4 940/4885PHGDH 3360/4885
US-20070293503-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 TP53 4487/4885FFAR4 940/4885PHGDH 3360/4885

“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.