SCHEMBL4061771

SCHEMBL4061771

NCCCCCN1c2ccccc2N(c2ccc(F)cc2F)S1(O)O

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 16/20 0.45
SLC6A3 Q01959 9/20 0.45
SLC6A4 P31645 9/20 0.41
KCNH2 Q12809 1/20 0.36
PIM1 P11309 1/20 0.34
HASPIN Q8TF76 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
Hydrochloric Acid SCHEMBL4054684 0.99 SLC6A2 (0.44) SLC6A2SLC6A3SLC6A4KCNH2PIM1
SCHEMBL4057590 0.95 SLC6A2 (0.47) SLC6A2SLC6A3SLC6A4KCNH2
Hydrochloric Acid SCHEMBL4943765 0.94 SLC6A2 (0.46) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL4055853 0.88 SLC6A2 (0.49) SLC6A2SLC6A3SLC6A4KCNH2PIM1
SCHEMBL4059906 0.88 SLC6A2 (0.49) SLC6A2SLC6A3SLC6A4KCNH2PIM1
SCHEMBL4065516 0.87 SLC6A2 (0.50) SLC6A2SLC6A3SLC6A4KCNH2PIM1
SCHEMBL4064686 0.86 SLC6A2 (0.41) SLC6A2SLC6A3SLC6A4KCNH2PIM1
SCHEMBL4941576 0.86 SLC6A2 (0.58) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL4058148 0.86 SLC6A2 (0.44) SLC6A2SLC6A3SLC6A4KCNH2
Hydrochloric Acid SCHEMBL4062892 0.85 SLC6A2 (0.40) SLC6A2SLC6A3SLC6A4KCNH2PIM1

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.