SCHEMBL4193368

SCHEMBL4193368

C[C@@H](c1cccc(S(=O)(=O)Cl)c1)C(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA2 P00918 5/20 0.38
TRPV4 Q9HBA0 1/20 0.38
PGR P06401 1/20 0.35
NLRP3 Q96P20 1/20 0.33
ADRA1D P25100 1/20 0.32
KAT6A Q92794 1/20 0.32
CA1 P00915 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31
HTR6 P50406 1/20 0.31

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
SCHEMBL4193371 1.00 ALDH1A1 (0.41) ALDH1A1HSD17B10TDP1CA2TRPV4
SCHEMBL18600897 0.85 TRPV4 (0.50) ALDH1A1HSD17B10TDP1CA2TRPV4
SCHEMBL958495 0.82 ALDH1A1 (0.46) ALDH1A1HSD17B10TDP1CA2PGR
SCHEMBL30990675 0.79 ALDH1A1 (0.43) ALDH1A1HSD17B10TDP1CA2TRPV4
SCHEMBL1032449 0.78 TRPV4 (0.42) ALDH1A1HSD17B10TDP1CA2TRPV4
SCHEMBL1029776 0.78 TRPV4 (0.42) ALDH1A1HSD17B10TDP1CA2TRPV4
SCHEMBL995303 0.75 PTGS1 (0.53) ALDH1A1HSD17B10TDP1LMNASMN1; SMN2
SCHEMBL19631130 0.74 ALDH1A1 (0.46) ALDH1A1HSD17B10TDP1CA2NLRP3
SCHEMBL56599 0.72 ALDH1A1 (0.65) ALDH1A1HSD17B10TDP1CA2PGR
SCHEMBL2363042 0.71 PTGS1 (0.55) CA2NLRP3KAT6ACA1LMNA

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 ALDH1A1 527/4885HSD17B10 1080/4885TDP1 2816/4885

“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.