SCHEMBL4053695

SCHEMBL4053695

O=C(O)NCCCCN1c2cccc(F)c2N(c2ccc(F)cc2F)S1(O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.40
SLC6A2 P23975 12/20 0.39
SLC6A4 P31645 8/20 0.39
SLC6A3 Q01959 4/20 0.37
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
HDAC3 O15379 1/20 0.34
ALOX15 P16050 1/20 0.34
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
DRD3 P35462 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
SCHEMBL4940915 0.84 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3CNR1CNR2
SCHEMBL4055874 0.83 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3
SCHEMBL4943708 0.83 SLC6A2 (0.43) RAB9ASLC6A2SLC6A4SLC6A3HTR1A
Hydrochloric Acid SCHEMBL4945820 0.82 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3
SCHEMBL4053143 0.82 SLC6A2 (0.42) RAB9ASLC6A2SLC6A4SLC6A3HDAC3
SCHEMBL4061460 0.82 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3HTR1ADRD2
SCHEMBL4053690 0.82 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3ALOX15
SCHEMBL4062295 0.82 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3ALOX15DRD2
SCHEMBL4062006 0.79 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3CNR1CNR2
SCHEMBL3604009 0.77 SLC6A2 (0.43) RAB9ASLC6A2SLC6A4SLC6A3

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 RAB9A 2572/4885SLC6A2 2/4885SLC6A4 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.