SCHEMBL3608817

SCHEMBL3608817

CS(=O)(=O)OCC#CCN1c2ccccc2N(c2ccccc2F)S1(O)O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 15/20 0.37
SLC6A3 Q01959 7/20 0.37
SLC6A4 P31645 4/20 0.37
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.32
KCNH2 Q12809 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL3605428 0.87 SLC6A2 (0.48) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL3610948 0.78 SLC6A2 (0.49) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL3612646 0.77 SLC6A2 (0.38) SLC6A2SLC6A3SLC6A4ALDH1A1KCNH2
Hydrochloric Acid SCHEMBL3609074 0.77 SLC6A2 (0.48) SLC6A2SLC6A3SLC6A4KCNH2
Hydrochloric Acid SCHEMBL3603548 0.76 SLC6A2 (0.38) SLC6A2SLC6A3SLC6A4ALDH1A1KCNH2
SCHEMBL3610952 0.66 SLC6A2 (0.63) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL4057466 0.66 SLC6A2 (0.49) SLC6A2SLC6A3SLC6A4KCNH2
Hydrochloric Acid SCHEMBL3609072 0.65 SLC6A2 (0.62) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL3612644 0.65 SLC6A2 (0.52) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL4065516 0.65 SLC6A2 (0.50) SLC6A2SLC6A3SLC6A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029641-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2010-02-04 US disclosed
US-7601722-B2 Aryl sulfamide derivatives and methods of their use WYETH (US) 2009-10-13 US disclosed
EP-2061776-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE Wyeth a Corporation of the State of Delaware (US) 2009-05-27 EP disclosed
US-20080167303-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-10 US disclosed
WO-2008073459-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-19 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 (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-20100029641-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 SLC6A2 2/4885SLC6A3 3/4885SLC6A4 1/4885
US-20080167303-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 SLC6A2 2/4885SLC6A3 3/4885SLC6A4 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.