SCHEMBL4053690

SCHEMBL4053690

CN(CCCN1c2cccc(F)c2N(c2ccc(F)cc2F)S1(O)O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 12/20 0.37
SLC6A3 Q01959 4/20 0.37
SLC6A4 P31645 8/20 0.34
ALOX15 P16050 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SOAT1 P35610 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL4053692 0.91 SLC6A2 (0.45) SLC6A2SLC6A3SLC6A4
SCHEMBL4055078 0.85 SLC6A2 (0.35) SLC6A2SLC6A3SLC6A4KDM4EALDH1A1
SCHEMBL4064710 0.83 SLC6A2 (0.40) SLC6A2SLC6A3SLC6A4
SCHEMBL4061452 0.83 SLC6A2 (0.35) SLC6A2SLC6A4KDM4EHTTL3MBTL1
SCHEMBL4058532 0.82 SLC6A2 (0.42) SLC6A2SLC6A3SLC6A4KDM4EALDH1A1
SCHEMBL4053695 0.82 RAB9A (0.40) SLC6A2SLC6A3SLC6A4ALOX15
SCHEMBL4055874 0.81 SLC6A2 (0.49) SLC6A2SLC6A3SLC6A4
SCHEMBL4055055 0.81 SLC6A2 (0.37) SLC6A2SLC6A3SLC6A4KDM4EHTT
SCHEMBL4062000 0.80 KDM4E (0.38) SLC6A2SLC6A3SLC6A4KDM4EALDH1A1
Hydrochloric Acid SCHEMBL4941493 0.80 ACHE (0.39) 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 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 2/4885SLC6A3 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.