SCHEMBL3285134

SCHEMBL3285134

O=S1(=O)NCc2ccccc2N1c1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.45
SLC6A4 P31645 4/20 0.44
OPRL1 P41146 10/20 0.44
OPRM1 P35372 8/20 0.44
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL3287518 0.87 SLC6A2 (0.50) SLC6A2SLC6A4MEN1KMT2A
SCHEMBL904818 0.73 OPRL1 (0.48) OPRL1OPRM1
SCHEMBL4963960 0.72 SLC6A2 (0.49) SLC6A2SLC6A4MEN1KMT2A
SCHEMBL3604966 0.71 MEN1 (0.39) SLC6A2SLC6A4OPRL1MEN1KMT2A
SCHEMBL3610115 0.70 CA12 (0.39) SLC6A2SLC6A4MEN1KMT2A
SCHEMBL904845 0.69 OPRL1 (0.46) OPRL1OPRM1
SCHEMBL8311345 0.67 OPRL1 (0.43) OPRL1OPRM1
SCHEMBL8316610 0.66 OPRL1 (0.42) OPRL1OPRM1
SCHEMBL3286493 0.66 MEN1 (0.41) SLC6A2SLC6A4OPRL1MEN1KMT2A
SCHEMBL3287810 0.65 SLC6A2 (0.71) SLC6A2SLC6A4

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
US-7718652-B2 Substituted benzothiadiazinedioxide derivatives and methods of their use WYETH LLC (US) 2010-05-18 US disclosed
US-20080161295-A1 SUBSTITUTED BENZOTHIADIAZINEDIOXIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-03 US disclosed
WO-2008073958-A2 SUBSTITUTED BENZOTHIADIAZINEDIOXIDE 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-20080161295-A1 SUBSTITUTED BENZOTHIADIAZINEDIOXIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A2, SLC6A4, DBH SLC6A2 1/4885SLC6A4 2/4885OPRL1 76/4885

“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.