SCHEMBL3607539

SCHEMBL3607539

CC(C)(C)OC(=O)C(CO)C1CCCCN1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 7/20 0.41
SLC6A2 P23975 5/20 0.41
SLC6A4 P31645 3/20 0.41
DHFR P00374 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL5213311 0.86 SLC6A3 (0.42) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL6047342 0.85 SLC6A3 (0.39) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL4529733 0.82 SLC6A3 (0.36) SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL7804926 0.80 SLC6A3 (0.34) SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL8466714 0.79 SLC6A3 (0.38) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL28977451 0.79 SLC6A3 (0.43) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL20594002 0.79 SLC6A3 (0.43) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL1059808 0.79 SLC6A3 (0.43) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL1062308 0.79 SLC6A3 (0.43) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL3905650 0.78 SLC6A3 (0.39) SLC6A3SLC6A2SLC6A4DHFR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029641-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2010-02-04 US disclosed
US-7601722-B2 Aryl sulfamide derivatives and methods of their use WYETH (US) 2009-10-13 US disclosed
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-20080167303-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-10 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 (2 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-20100029641-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 SLC6A3 3/4885SLC6A2 2/4885SLC6A4 1/4885
US-20080167303-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 SLC6A3 3/4885SLC6A2 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.