SCHEMBL1748828

SCHEMBL1748828

CC(Nc1cc(F)ccc1S(C)(=O)=O)c1cc(Cl)cc2c1OCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.42
CCR2 P41597 4/20 0.41
SCN1A P35498 6/20 0.37
SCN5A Q14524 6/20 0.37
SCN8A Q9UQD0 6/20 0.37
PTGS2 P35354 2/20 0.36
ADRA1D P25100 3/20 0.35
ADRA1A P35348 3/20 0.35
ADRA1B P35368 3/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2C P18825 1/20 0.35
NR1I2 O75469 2/20 0.35
SCN1B Q07699 2/20 0.35
CYP2C9 P11712 1/20 0.35
SCN9A Q15858 1/20 0.35
SCN2A Q99250 1/20 0.35
GAA P10253 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PTGES2 Q9H7Z7 1/20 0.34
EPHB4 P54760 1/20 0.33

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
SCHEMBL1748156 0.92 HTR6 (0.42) HTR6CCR2SCN1ASCN5ASCN8A
SCHEMBL1748289 0.81 HTR6 (0.67) HTR6CYP2C9
Hydrochloric Acid SCHEMBL1748811 0.80 HTR6 (0.66) HTR6CYP2C9
SCHEMBL1748401 0.77 CCR2 (0.49) HTR6CCR2SCN1ASCN5ASCN8A
SCHEMBL5021092 0.76 CCR2 (0.47) HTR6CCR2SCN1ASCN5ASCN8A
SCHEMBL1748066 0.75 HTR6 (0.66) HTR6CCR2SCN1ASCN5ASCN8A
SCHEMBL1749334 0.75 HTR6 (0.50) HTR6CCR2SCN1ASCN5ASCN8A
SCHEMBL5321618 0.73 SCN1A (0.44) HTR6CCR2SCN1ASCN5ASCN8A
SCHEMBL5021157 0.73 CCR2 (0.43) HTR6CCR2SCN1ASCN5ASCN8A
SCHEMBL5021188 0.73 HTR6 (0.38) HTR6ADRA1DADRA1AADRA1BADRA2C

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 4 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-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US disclosed
US-20060205737-A1 Substituted arylamine compounds and methods of treatment GALENEA CORPORATION 2006-09-14 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-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT HTR6, HTR2A, HTR3B HTR6 1/4885CCR2 1022/4885SCN1A 2413/4885
US-20060205737-A1 Substituted arylamine compounds and methods of treatment HTR6, HTR2A, HTR3B HTR6 1/4885CCR2 1022/4885SCN1A 2413/4885

“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.