SCHEMBL4064837

SCHEMBL4064837

NCCCN1c2cccc(F)c2N(c2ccccc2F)S1(O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 13/20 0.40
SLC6A3 Q01959 6/20 0.40
SLC6A4 P31645 7/20 0.40
KCNH2 Q12809 1/20 0.36
HTR2A P28223 2/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
AMPD2 Q01433 2/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
HTR7 P34969 1/20 0.32
HTR6 P50406 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
Hydrochloric Acid SCHEMBL4945970 0.99 SLC6A2 (0.40) SLC6A2SLC6A3SLC6A4KCNH2HTR2A
SCHEMBL4055712 0.90 SLC6A2 (0.44) SLC6A2SLC6A3SLC6A4KCNH2HTR2A
Hydrochloric Acid SCHEMBL4945122 0.89 SLC6A2 (0.43) SLC6A2SLC6A3SLC6A4KCNH2HTR2A
SCHEMBL4057466 0.87 SLC6A2 (0.49) SLC6A2SLC6A3SLC6A4KCNH2HTR2A
SCHEMBL4947299 0.84 SLC6A2 (0.60) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL4064839 0.83 SLC6A2 (0.56) SLC6A2SLC6A3SLC6A4KCNH2
Hydrochloric Acid SCHEMBL4947400 0.83 SLC6A2 (0.59) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL4065516 0.83 SLC6A2 (0.50) SLC6A2SLC6A3SLC6A4KCNH2HTR2A
Hydrochloric Acid SCHEMBL4945962 0.82 SLC6A2 (0.55) SLC6A2SLC6A3SLC6A4KCNH2HTR2A
SCHEMBL4055853 0.82 SLC6A2 (0.49) SLC6A2SLC6A3SLC6A4KCNH2HTR2A

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 6 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
US-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-03 US 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 3/4885SLC6A4 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.