SCHEMBL4196281

SCHEMBL4196281

O=S(=O)(Nc1cccc(C2CCNC2)c1)c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERAP1 Q9NZ08 3/20 0.53
TP53 P04637 3/20 0.45
HSPD1 P10809 2/20 0.43
PTPN2 P17706 2/20 0.43
PTPN1 P18031 2/20 0.43
PTPN5 P54829 2/20 0.43
HSPE1 P61604 2/20 0.43
ALOX12 P18054 1/20 0.43
SLC22A12 Q96S37 1/20 0.43
LMNA P02545 3/20 0.41
THRB P10828 1/20 0.41
TRIM24 O15164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
XBP1 P17861 1/20 0.40
HTT P42858 1/20 0.40
CCR2 P41597 1/20 0.40
PGAM1 P18669 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HTR2C P28335 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
SCHEMBL4196274 1.00 ERAP1 (0.53) ERAP1TP53HSPD1PTPN2PTPN1
SCHEMBL4195759 0.84 HTR2C (0.53) LMNAMAPTALDH1A1HTR2C
SCHEMBL4206291 0.84 HTR2C (0.53) LMNAMAPTALDH1A1HTR2C
SCHEMBL4195766 0.84 HTR2C (0.53) LMNAMAPTALDH1A1HTR2C
SCHEMBL4202815 0.82 HTR2C (0.45) TP53ALOX12LMNASMN1; SMN2MAPT
SCHEMBL4202820 0.82 HTR2C (0.45) TP53ALOX12LMNASMN1; SMN2MAPT
SCHEMBL4188415 0.82 HTR2C (0.47) HTR2C
SCHEMBL4188422 0.82 HTR2C (0.47) HTR2C
SCHEMBL1546167 0.80 DRD2 (0.51) ALOX12LMNASMN1; SMN2MAPTXBP1
SCHEMBL4196269 0.80 BRAF (0.50) ALOX12SLC22A12TRIM24

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 ERAP1 1711/4885TP53 4688/4885HSPD1 2876/4885

“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.