SCHEMBL4062295

SCHEMBL4062295

O=C(O)NCCCN1c2ccccc2N(c2c(F)cccc2F)S1(O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.46
SLC6A3 Q01959 6/20 0.46
KCNH2 Q12809 1/20 0.43
SLC6A4 P31645 4/20 0.43
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL4940915 0.95 SLC6A2 (0.46) SLC6A2SLC6A3KCNH2SLC6A4LMNA
SCHEMBL4054121 0.91 SLC6A2 (0.42) SLC6A2SLC6A3KCNH2SLC6A4LMNA
SCHEMBL4062293 0.88 SLC6A2 (0.58) SLC6A2SLC6A3KCNH2SLC6A4
SCHEMBL4943708 0.87 SLC6A2 (0.43) SLC6A2SLC6A3KCNH2SLC6A4LMNA
SCHEMBL4053143 0.86 SLC6A2 (0.42) SLC6A2SLC6A3KCNH2SLC6A4LMNA
SCHEMBL4944224 0.84 SLC6A2 (0.62) SLC6A2SLC6A3KCNH2SLC6A4
Hydrochloric Acid SCHEMBL4939239 0.83 SLC6A2 (0.60) SLC6A2SLC6A3KCNH2SLC6A4NPSR1
SCHEMBL4062006 0.83 SLC6A2 (0.41) SLC6A2SLC6A3KCNH2SLC6A4DRD2
SCHEMBL4946554 0.82 SLC6A2 (0.47) SLC6A2SLC6A3KCNH2SLC6A4
SCHEMBL4053695 0.82 RAB9A (0.40) SLC6A2SLC6A3SLC6A4ALOX15DRD2

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 3/4885KCNH2 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.