SCHEMBL3483762

SCHEMBL3483762

Cc1cc(Cl)c(S(=O)(=O)Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
GLA P06280 1/20 0.44
TRPV4 Q9HBA0 1/20 0.41
CA12 O43570 6/20 0.41
CA1 P00915 6/20 0.41
CA2 P00918 6/20 0.41
CA9 Q16790 6/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
SOD1 P00441 1/20 0.40
CD44 P16070 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
LMNA P02545 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38

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
SCHEMBL31556482 0.91 HTT (0.49) TSHRGLATRPV4CA12CA1
SCHEMBL788091 0.91 HTT (0.49) TSHRGLATRPV4CA12CA1
SCHEMBL152556 0.86 SOD1 (0.47) TSHRGLACA12CA1CA2
SCHEMBL29707985 0.86 SOD1 (0.47) TSHRGLACA12CA1CA2
SCHEMBL20182638 0.86 TSHR (0.44) TSHRGLATRPV4CA12CA1
SCHEMBL1991714 0.85 TRPV4 (0.50) TSHRTRPV4CA12CA1CA2
SCHEMBL197659 0.84 TSHR (0.44) TSHRGLATRPV4CA12CA1
SCHEMBL26512818 0.84 TRPV4 (0.38) TSHRGLATRPV4CA12CA1
SCHEMBL534192 0.80 TRPV4 (0.47) TSHRTRPV4CA12CA1CA2
SCHEMBL30161536 0.80 TRPV4 (0.47) TSHRTRPV4CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049200-B1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC (CA) 2015-04-29 EP disclosed
US-8440643-B2 Inhibitors of beta-lactamase METHYLGENE INC. (CA) 2013-05-14 US disclosed
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC. 2010-11-04 US disclosed
EP-2049200-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MethylGene Inc. (CA) 2009-04-22 EP disclosed
WO-2008073142-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2008-06-19 WO disclosed
US-6617357-B2 Administering to a patient for inhibiting cyclic nucleotide phosphodiesterases (PDEs) activity, a benzenesulfonamide compound SMITHKLINE BEECHAM CORPORATION 2003-09-09 US disclosed
US-20020156064-A1 Compounds and their use as PDE inhibitors SMITHKLINE BEECHAM CORP 2002-10-24 US 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 (2 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-20020156064-A1 Compounds and their use as PDE inhibitors PDE3A, PDE2A, PDE5A TSHR 2981/4885GLA 331/4885TRPV4 3140/4885
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MGAM, MGAM2, PGLS TSHR 4294/4885GLA 49/4885TRPV4 4788/4885

“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.