SCHEMBL1613542

SCHEMBL1613542

O=C(ON(c1cccc(N2CCNCC2)c1)S(=O)(=O)c1ccccc1OC(F)F)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABHD6 Q9BV23 1/20 0.38
▸ HTR6 P50406 12/20 0.37
▸ HTR2C P28335 3/20 0.36
▸ HTR3E A5X5Y0 2/20 0.36
▸ HTR3B O95264 2/20 0.36
▸ HTR3A P46098 2/20 0.36
▸ HTR3D Q70Z44 2/20 0.36
▸ HTR3C Q8WXA8 2/20 0.36
▸ SIGMAR1 Q99720 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HTR1D P28221 1/20 0.36
▸ THRB P10828 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MAPK3 P27361 1/20 0.35
▸ KAT6A Q92794 1/20 0.35
▸ HTR7 P34969 3/20 0.35
▸ HTR1A P08908 2/20 0.34
▸ HTR2A P28223 2/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ ADRB1 P08588 2/20 0.34

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
SCHEMBL1612010 0.88 HTR6 (0.40) HTR6ALDH1A1
SCHEMBL1610990 0.85 HTR6 (0.47) HTR6HTR3EHTR3BHTR3AHTR3D
SCHEMBL1613495 0.84 ABCB1 (0.38) HTR6HTR7HTR1AADRB1
Trifluoroacetic Acid SCHEMBL1613541 0.75 HTR6 (0.56) HTR6HTR2CHTR3EHTR3BHTR3A
SCHEMBL1726417 0.71 HTR6 (0.61) HTR6HTR2CHTR3EHTR3BHTR3A
SCHEMBL615012 0.69 HTR6 (0.51) HTR6HTR2CALDH1A1KAT6AHTR7
Hydrochloric Acid SCHEMBL617926 0.68 HTR6 (0.50) HTR6KAT6AHTR7HTR1AHTR2A
SCHEMBL5761993 0.67 ADRB1 (0.64) HTR6HTR2CHTR3EHTR3BHTR3A
Trifluoroacetic Acid SCHEMBL1612008 0.66 HTR6 (0.48) HTR6HTR2CHTR1DHTR7HTR1A
SCHEMBL617500 0.66 HTR6 (0.56) HTR6KAT6AHTR7HTR1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011163279-A3 LOW-POWER WIRELESSLY-LINKED RFID TRACKING SYSTEM ROSE MARK D (US) 2012-05-10 — — WO disclosed
EP-2217583-B1 BENZENESULFONANILIDE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBOTT GMBH & CO KG (DE) 2011-11-30 — — EP disclosed
US-20110086863-A1 BENZENESULFONANILIDE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2011-04-14 — — US disclosed
US-7790727-B2 Benzenesulfonanilide compounds suitable for treating disorders that respond to modulation of the serotonin 5-HT6 receptor ABBOTT GMBH & CO. KG (DE) 2010-09-07 — — US disclosed
EP-2217583-A1 BENZENESULFONANILIDE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR Abbott GmbH & Co. KG (DE) 2010-08-18 — — EP disclosed
US-20090131452-A1 BENZENESULFONANILIDE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2009-05-21 — — US disclosed
WO-2009056632-A1 BENZENESULFONANILIDE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2009-05-07 — — 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-20090131452-A1 BENZENESULFONANILIDE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR HTR6, HTR1D, HTR1B ABHD6 789/4885HTR6 1/4885HTR2C 9/4885
US-20110086863-A1 BENZENESULFONANILIDE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR HTR6, HTR1D, HTR1B ABHD6 781/4885HTR6 1/4885HTR2C 9/4885

“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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