SCHEMBL1748401

SCHEMBL1748401

CC(Nc1cc(F)ccc1S(C)(=O)=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.49
SCN1A P35498 5/20 0.43
SCN5A Q14524 5/20 0.43
SCN8A Q9UQD0 5/20 0.43
PTGES2 Q9H7Z7 2/20 0.40
HTR6 P50406 1/20 0.39
ADRA1D P25100 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1B P35368 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
ACLY P53396 2/20 0.39
GPR55 Q9Y2T6 2/20 0.38
SCN1B Q07699 2/20 0.38
NR1I2 O75469 1/20 0.36
CYP2C9 P11712 1/20 0.36
SCN9A Q15858 1/20 0.36
SCN2A Q99250 1/20 0.36
EPAS1 Q99814 2/20 0.36

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
SCHEMBL1748370 0.83 KMT2A (0.43) CCR2SCN1ASCN5ASCN8AADRA1D
SCHEMBL5021123 0.82 CCR2 (0.39) CCR2HTR6ADRA1DADRA1AADRA1B
SCHEMBL5021092 0.78 CCR2 (0.47) CCR2SCN1ASCN5ASCN8APTGES2
SCHEMBL1748066 0.78 HTR6 (0.66) CCR2SCN1ASCN5ASCN8APTGES2
SCHEMBL5021157 0.77 CCR2 (0.43) CCR2SCN1ASCN5ASCN8APTGES2
SCHEMBL5321618 0.77 SCN1A (0.44) CCR2SCN1ASCN5ASCN8APTGES2
SCHEMBL1749334 0.77 HTR6 (0.50) CCR2SCN1ASCN5ASCN8APTGES2
SCHEMBL1748156 0.77 HTR6 (0.42) CCR2SCN1ASCN5ASCN8APTGES2
SCHEMBL1748828 0.77 HTR6 (0.42) CCR2SCN1ASCN5ASCN8APTGES2
SCHEMBL5021127 0.77 HTR6 (0.50) CCR2PTGES2HTR6ADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604021-B2 Substituted arylamine compounds and methods of treatment BECKER OREN (IL) 2013-12-10 US disclosed
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT BECKER OREN (IL) 2012-05-10 US disclosed
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT BECKER OREN (IL) 2012-05-10 US disclosed
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT BECKER OREN (IL) 2012-05-10 US disclosed
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US disclosed
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US disclosed
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US disclosed
EP-1856075-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND THEIR USE AS 5-HT6 MODULATORS Epix Delaware, Inc. (US) 2007-11-21 EP disclosed
US-20060205737-A1 Substituted arylamine compounds and methods of treatment GALENEA CORPORATION 2006-09-14 US disclosed
WO-2006081332-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND THEIR USE AS 5-HT6 MODULATORS EPIX DELAWARE, INC. (US) 2006-08-03 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 (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-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT HTR6, HTR2A, HTR3B CCR2 1022/4885SCN1A 2413/4885SCN5A 851/4885
US-20060205737-A1 Substituted arylamine compounds and methods of treatment HTR6, HTR2A, HTR3B CCR2 1022/4885SCN1A 2413/4885SCN5A 851/4885

“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.