SCHEMBL4206291

SCHEMBL4206291

O=S(=O)(Nc1cccc([C@H]2CCNC2)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.53
TSHR P16473 1/20 0.51
HTR6 P50406 1/20 0.49
HSD17B2 P37059 1/20 0.49
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
FFAR1 O14842 1/20 0.48
CDK1 P06493 1/20 0.48
CCNB1 P14635 1/20 0.48
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48
CDK7 P50613 1/20 0.48
CCNH P51946 1/20 0.48
CCNA1 P78396 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
GAA P10253 1/20 0.47
NR3C1 P04150 1/20 0.47
PGR P06401 1/20 0.47
AR P10275 1/20 0.47
ESR2 Q92731 1/20 0.47

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
SCHEMBL4195759 1.00 HTR2C (0.53) HTR2CTSHRHTR6HSD17B2ALDH1A1
SCHEMBL4195766 1.00 HTR2C (0.53) HTR2CTSHRHTR6HSD17B2ALDH1A1
SCHEMBL4204724 0.91 TSHR (0.55) TSHRHTR6HSD17B2ALDH1A1KMT2A
SCHEMBL4195878 0.90 NR3C1 (0.54) HTR2CTSHRHTR6HSD17B2NR3C1
SCHEMBL4195874 0.90 NR3C1 (0.54) HTR2CTSHRHTR6HSD17B2NR3C1
SCHEMBL4202815 0.89 HTR2C (0.45) HTR2CHTR6ALDH1A1FFAR1CDK1
SCHEMBL4202820 0.89 HTR2C (0.45) HTR2CHTR6ALDH1A1FFAR1CDK1
SCHEMBL4196269 0.84 BRAF (0.50) HTR6PKLRHDAC1HDAC8
SCHEMBL4190426 0.84 BRAF (0.50) HTR6PKLRHDAC1HDAC8
SCHEMBL4196281 0.84 ERAP1 (0.53) HTR2CALDH1A1MAPTLMNA

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 HTR2C 4/4885TSHR 107/4885HTR6 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.