SCHEMBL5243159

SCHEMBL5243159

N#Cc1ccc(S(=O)(=O)Cl)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.44
IMPDH1 P20839 1/20 0.44
SLC22A12 Q96S37 12/20 0.43
AR P10275 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
TRPV4 Q9HBA0 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.37

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
SCHEMBL5242541 0.89 HTT (0.43) IMPDH2IMPDH1SLC22A12ALDH1A1HTT
SCHEMBL9165551 0.82 ALDH1A1 (0.48) ALDH1A1TRPV4CA1CA2
SCHEMBL4340109 0.81 TTR (0.46) IMPDH2IMPDH1SLC22A12ARALDH1A1
SCHEMBL29489135 0.77 IMPDH2 (0.64) IMPDH2IMPDH1SLC22A12ARALDH1A1
SCHEMBL151936 0.77 IMPDH2 (0.64) IMPDH2IMPDH1SLC22A12ARALDH1A1
SCHEMBL29948777 0.76 ALDH1A1 (0.58) SLC22A12ALDH1A1HTTTRPV4
SCHEMBL489976 0.76 ALDH1A1 (0.58) SLC22A12ALDH1A1HTTTRPV4
SCHEMBL16917824 0.75 IMPDH2 (0.57) IMPDH2IMPDH1SLC22A12ARALDH1A1
SCHEMBL11193357 0.75 IMPDH2 (0.61) IMPDH2IMPDH1SLC22A12ARALDH1A1
Hydrochloric Acid SCHEMBL3938103 0.75 ALDH1A1 (0.56) SLC22A12ALDH1A1HTTTRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1455777-B1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SMITHKLINE BEECHAM PLC (GB) 2007-11-21 EP disclosed
EP-1455777-B1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SMITHKLINE BEECHAM PLC (GB) 2007-11-21 EP disclosed
US-20050267152-A1 Gly1 transporter inhibitors and uses thereof in treatment of neurological and neuropsychiatric disorders MDS INC., DOING BUSINESS AS MDS SCIEX (CA) 2005-12-01 US disclosed
WO-2005049023-A1 GLYT1 TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2005-06-02 WO disclosed
EP-1455777-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SMITHKLINE BEECHAM PLC (GB) 2004-09-15 EP disclosed
WO-2003055478-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2003-07-10 WO disclosed
WO-2003055478-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2003-07-10 WO disclosed
EP-0770599-A1 PROCESS FOR THE PREPARATION OF AROMATIC OR HETEROAROMATIC SULFONYL HALIDES SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1997-05-02 EP 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-20050267152-A1 Gly1 transporter inhibitors and uses thereof in treatment of neurological and neuropsychiatric disorders SLC1A2, SLC1A1, SLC18A2 IMPDH2 1965/4885IMPDH1 1048/4885SLC22A12 164/4885

“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.