SCHEMBL4054121

SCHEMBL4054121

O=C(O)NCCCN1c2ccccc2N(c2c(F)cc(F)cc2F)S1(O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.42
SLC6A3 Q01959 9/20 0.42
SLC6A4 P31645 3/20 0.41
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RAB9A P51151 1/20 0.36
KCNH2 Q12809 2/20 0.35
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
AMPD2 Q01433 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 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
SCHEMBL4943708 0.97 SLC6A2 (0.43) SLC6A2SLC6A3SLC6A4LMNANPSR1
SCHEMBL4053143 0.96 SLC6A2 (0.42) SLC6A2SLC6A3SLC6A4LMNANPSR1
SCHEMBL4062295 0.91 SLC6A2 (0.46) SLC6A2SLC6A3SLC6A4LMNANPSR1
SCHEMBL4054117 0.89 SLC6A2 (0.53) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL3604965 0.88 ACKR3 (0.38) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL4940915 0.86 SLC6A2 (0.46) SLC6A2SLC6A3SLC6A4LMNANPSR1
SCHEMBL4944159 0.85 SLC6A2 (0.56) SLC6A2SLC6A3SLC6A4KCNH2
Hydrochloric Acid SCHEMBL4945853 0.84 SLC6A2 (0.55) SLC6A2SLC6A3SLC6A4NPSR1KCNH2
SCHEMBL4944746 0.82 SLC6A2 (0.41) SLC6A2SLC6A3SLC6A4KCNH2AMPD2
SCHEMBL4947373 0.81 SLC6A2 (0.57) SLC6A2SLC6A3SLC6A4KCNH2

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 3/4885SLC6A4 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.