SCHEMBL4056101

SCHEMBL4056101

CN(CCCCN1c2ccccc2N(c2ccc(F)cc2)S1(O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.42
SLC6A3 Q01959 4/20 0.42
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC6A4 P31645 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 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
SCHEMBL4056104 0.90 SLC6A2 (0.53) SLC6A2SLC6A3SLC6A4
SCHEMBL4053135 0.84 SLC6A2 (0.40) SLC6A2SLC6A3KDM4ESLC6A4
SCHEMBL4058532 0.84 SLC6A2 (0.42) SLC6A2SLC6A3KDM4ESLC6A4L3MBTL1
SCHEMBL4064710 0.81 SLC6A2 (0.40) SLC6A2SLC6A3SLC6A4
SCHEMBL4062000 0.80 KDM4E (0.38) SLC6A2SLC6A3KDM4ESLC6A4L3MBTL1
SCHEMBL4056113 0.80 SLC6A2 (0.42) SLC6A2SLC6A3SLC6A4KMT2A
SCHEMBL4065783 0.79 SLC6A2 (0.56) SLC6A2SLC6A3SLC6A4
SCHEMBL4055078 0.79 SLC6A2 (0.35) SLC6A2SLC6A3KDM4ESLC6A4L3MBTL1
Hydrochloric Acid SCHEMBL4947369 0.78 SLC6A2 (0.55) SLC6A2SLC6A3SLC6A4
SCHEMBL4053312 0.77 SLC6A2 (0.55) SLC6A2SLC6A3SLC6A4

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 3/4885KDM4E 3015/4885

“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.