SCHEMBL4057915

SCHEMBL4057915

NCCCN1c2ccccc2N(c2ccc(F)cc2Cl)S1(O)O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 12/20 0.38
SLC6A3 Q01959 6/20 0.38
KCNH2 Q12809 1/20 0.35
SLC6A4 P31645 5/20 0.34
GRM5 P41594 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
CASP6 P55212 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
P2RX7 Q99572 1/20 0.32
HTR2A P28223 1/20 0.31

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
Hydrochloric Acid SCHEMBL4947280 0.99 SLC6A2 (0.37) SLC6A2SLC6A3KCNH2SLC6A4GRM5
SCHEMBL4057590 0.89 SLC6A2 (0.47) SLC6A2SLC6A3KCNH2SLC6A4HTR2A
Hydrochloric Acid SCHEMBL4943765 0.88 SLC6A2 (0.46) SLC6A2SLC6A3KCNH2SLC6A4HTR2A
SCHEMBL4057919 0.85 SLC6A2 (0.50) SLC6A2SLC6A3KCNH2SLC6A4
SCHEMBL4063441 0.85 SLC6A2 (0.40) SLC6A2SLC6A3KCNH2SLC6A4
SCHEMBL4946017 0.85 SLC6A2 (0.50) SLC6A2SLC6A3KCNH2SLC6A4
Hydrochloric Acid SCHEMBL4947355 0.84 SLC6A2 (0.39) SLC6A2SLC6A3KCNH2SLC6A4
Hydrochloric Acid SCHEMBL4947271 0.84 SLC6A2 (0.49) SLC6A2SLC6A3KCNH2SLC6A4
SCHEMBL4061771 0.84 SLC6A2 (0.45) SLC6A2SLC6A3KCNH2SLC6A4
Hydrochloric Acid SCHEMBL4943141 0.84 SLC6A2 (0.49) SLC6A2SLC6A3KCNH2SLC6A4

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
EP-2061776-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE Wyeth a Corporation of the State of Delaware (US) 2009-05-27 EP claimed
WO-2008073459-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-19 WO claimed
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 3/4885KCNH2 1750/4885

“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.