SCHEMBL3599543

SCHEMBL3599543

CN(CCN(C)C(=O)O)CCN1c2ccccc2N(c2ccccc2F)S1(O)O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 16/20 0.42
SLC6A3 Q01959 7/20 0.42
SLC6A4 P31645 5/20 0.40
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
KCNH2 Q12809 1/20 0.34

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
SCHEMBL3604006 0.90 SLC6A2 (0.44) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL3599535 0.90 SLC6A2 (0.55) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL3604964 0.87 SLC6A2 (0.39) SLC6A2SLC6A3SLC6A4KDM4EALDH1A1
SCHEMBL3599549 0.84 SLC6A2 (0.44) SLC6A2SLC6A3SLC6A4
SCHEMBL3604841 0.82 SLC6A2 (0.52) SLC6A2SLC6A3SLC6A4KCNH2
Hydrochloric Acid SCHEMBL3598206 0.81 SLC6A2 (0.51) SLC6A2SLC6A3SLC6A4
SCHEMBL3604001 0.81 SLC6A2 (0.55) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL3604962 0.79 SLC6A2 (0.49) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL4058532 0.78 SLC6A2 (0.42) SLC6A2SLC6A3SLC6A4KDM4EALDH1A1
SCHEMBL4063154 0.77 SLC6A2 (0.49) SLC6A2SLC6A3SLC6A4KDM4EALDH1A1

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.