SCHEMBL2561416

SCHEMBL2561416

Cc1c(CC2=NCCN2)ccc(NS(C)(=O)=O)c1F

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 5/20 0.50
HTR1B P28222 4/20 0.50
ADRA1A P35348 12/20 0.47
ADRA1D P25100 9/20 0.46
ADRA1B P35368 9/20 0.46
ADRA2A P08913 7/20 0.46
ADRA2C P18825 8/20 0.43
ADRA2B P18089 1/20 0.43
TAAR1 Q96RJ0 2/20 0.41
RAD52 P43351 1/20 0.39

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
Hydrochloric Acid SCHEMBL3726850 0.99 HTR1D (0.49) HTR1DHTR1BADRA1AADRA1DADRA1B
SCHEMBL4992395 0.86 HTR1D (0.50) HTR1DHTR1BADRA1AADRA1DADRA1B
SCHEMBL4986530 0.86 ADRA1A (0.50) HTR1DHTR1BADRA1AADRA1DADRA1B
SCHEMBL13752307 0.86 HTR1D (0.50) HTR1DHTR1BADRA1AADRA1DADRA1B
SCHEMBL4993251 0.84 HTR1B (0.48) HTR1DHTR1BADRA1AADRA1DADRA1B
SCHEMBL5200657 0.83 TAAR1 (0.52) HTR1DHTR1BADRA1AADRA1DADRA1B
Hydrochloric Acid SCHEMBL5203075 0.82 TAAR1 (0.51) HTR1DHTR1BADRA1AADRA1DADRA1B
SCHEMBL5201261 0.81 HTR1D (0.59) HTR1DHTR1BADRA1AADRA1DADRA1B
Hydrochloric Acid SCHEMBL5203869 0.80 HTR1D (0.57) HTR1DHTR1BADRA1AADRA1DADRA1B
SCHEMBL5200544 0.78 ADRA1A (0.48) HTR1DHTR1BADRA1AADRA1DADRA1B

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
EP-2238115-B1 NOVEL IMIDAZOLINYLMETHYL ARYL SULFONAMIDES HOFFMANN LA ROCHE (CH) 2011-11-02 EP disclosed
EP-2238115-B1 NOVEL IMIDAZOLINYLMETHYL ARYL SULFONAMIDES HOFFMANN LA ROCHE (CH) 2011-11-02 EP disclosed
EP-2238115-A1 NOVEL IMIDAZOLINYLMETHYL ARYL SULFONAMIDES F. Hoffmann-La Roche AG (CH) 2010-10-13 EP disclosed
WO-2009098133-A1 NOVEL IMIDAZOLINYLMETHYL ARYL SULFONAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-13 WO disclosed
WO-2009098133-A1 NOVEL IMIDAZOLINYLMETHYL ARYL SULFONAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-13 WO disclosed
US-20090197933-A1 IMIDAZOLINYLMETHYL ARYL SULFONAMIDE ROCHE PALO ALTO LLC 2009-08-06 US disclosed
US-20090197933-A1 IMIDAZOLINYLMETHYL ARYL SULFONAMIDE ROCHE PALO ALTO LLC 2009-08-06 US disclosed
US-20090197933-A1 IMIDAZOLINYLMETHYL ARYL SULFONAMIDE ROCHE PALO ALTO LLC 2009-08-06 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 (1 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-20090197933-A1 IMIDAZOLINYLMETHYL ARYL SULFONAMIDE ADRA1A, ADRA1D, ADRB1 HTR1D 31/4885HTR1B 196/4885ADRA1A 1/4885

“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.