SCHEMBL4053135

SCHEMBL4053135

CN(CCCCN1c2ccccc2N(c2c(F)cc(F)cc2F)S1(O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 8/20 0.36
FAAH O00519 1/20 0.35
KCNH2 Q12809 2/20 0.34
AMPD2 Q01433 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL4064710 0.97 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3FAAHKCNH2
SCHEMBL4058532 0.91 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3KCNH2AMPD2
SCHEMBL4053136 0.90 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL3604964 0.88 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3KCNH2AMPD2
SCHEMBL4064707 0.87 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4056101 0.84 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL4058530 0.81 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4943708 0.81 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4053143 0.80 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4053690 0.80 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-03 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 (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-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 SLC6A2 2/4885SLC6A4 1/4885SLC6A3 3/4885

“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.