SCHEMBL5559482

SCHEMBL5559482

Nc1ccccc1CS(=O)(=O)O.[NaH]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.42
TTR P02766 1/20 0.41
GAA P10253 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA5A P35218 2/20 0.39
CA9 Q16790 2/20 0.39
CA12 O43570 1/20 0.39
CYP2C9 P11712 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
ALOX15 P16050 2/20 0.36
CYP3A4 P08684 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 2/20 0.35

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
SCHEMBL7049241 0.98 FDPS (0.43) FDPSTTRGAACA1CA2
SCHEMBL30010447 0.98 FDPS (0.43) FDPSTTRGAACA1CA2
SCHEMBL30009957 0.86 ALDH1A1 (0.40) FDPSTTRGAATSHRALDH1A1
SCHEMBL9179237 0.83 TTR (0.41) FDPSTTRGAACA1CA2
SCHEMBL17494173 0.82 ALDH1A1 (0.48) FDPSTTRGAACA1CA2
SCHEMBL29512909 0.82 ALDH1A1 (0.48) FDPSTTRGAACA1CA2
SCHEMBL10398011 0.82 TSHR (0.42) CA1CA2CA5ACA9SMN1; SMN2
SCHEMBL27984836 0.82 MMP2 (0.42) FDPSTTRGAACA1CA2
SCHEMBL27976075 0.82 TTR (0.40) FDPSTTRGAACA1CA2
SCHEMBL30610278 0.81 ALDH1A1 (0.46) FDPSTTRGAACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150031685-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS Dr. Reeddy's Laboratories Ltd. (IN) 2015-01-29 US disclosed
EP-1005341-B1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2007-12-19 EP disclosed
EP-1005341-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-09-08 EP disclosed
EP-1087661-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-04-16 EP disclosed
EP-1098884-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-01-22 EP disclosed
EP-1098884-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-16 EP disclosed
EP-1087661-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-04 EP disclosed
EP-1005341-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-06-07 EP disclosed
WO-2000005216-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-03 WO disclosed
WO-1999065310-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-23 WO disclosed
WO-1998032438-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-07-30 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-20150031685-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS OPRK1, OPRL1, OPRD1 FDPS 3955/4885TTR 4695/4885GAA 3825/4885

“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.