SCHEMBL4191014

SCHEMBL4191014

COc1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1cccc(C2CCNC2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALPL P05186 3/20 0.55
HTR2A P28223 2/20 0.49
MAPT P10636 1/20 0.48
TRIM24 O15164 1/20 0.47
JAK2 O60674 1/20 0.47
JAK3 P52333 1/20 0.47
PTK2 Q05397 1/20 0.47
ALOX12 P18054 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HTR2C P28335 2/20 0.44
SCN9A Q15858 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL4191009 1.00 ALPL (0.55) ALPLHTR2AMAPTTRIM24JAK2
SCHEMBL4188415 0.86 HTR2C (0.47) HTR2CSCN9A
SCHEMBL4188422 0.86 HTR2C (0.47) HTR2CSCN9A
SCHEMBL4195759 0.81 HTR2C (0.53) MAPTKMT2AHTR2CALDH1A1
SCHEMBL4195766 0.81 HTR2C (0.53) MAPTKMT2AHTR2CALDH1A1
SCHEMBL4206291 0.81 HTR2C (0.53) MAPTKMT2AHTR2CALDH1A1
SCHEMBL4199479 0.78 SMN1; SMN2 (0.63) ALPLMAPTALOX12MEN1KMT2A
SCHEMBL4202791 0.78 MEN1 (0.68) ALPLMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4202820 0.77 HTR2C (0.45) MAPTALOX12SMN1; SMN2HTR2CALDH1A1
SCHEMBL4202815 0.77 HTR2C (0.45) MAPTALOX12SMN1; SMN2HTR2CALDH1A1

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-8642642-B2 Heterocyclic arylsulphones suitable for treating disorders that respond to modulation of the serotonin 5HT6 receptor ABBOTT LABORATORIES (US) 2014-02-04 US disclosed
US-20090306175-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2009-12-10 US disclosed
EP-2029528-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR Abbott GmbH & Co. KG (DE) 2009-03-04 EP disclosed
WO-2007118899-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2007-10-25 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 (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-20090306175-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR HTR6, HTR1A, HTR5A ALPL 4757/4885HTR2A 6/4885MAPT 3172/4885

“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.