SCHEMBL3601740

SCHEMBL3601740

CC(C)(C)OC(=O)N1CCN(CCN2c3cccc(F)c3N(c3ccc(F)cc3F)S2(=O)=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.41
TP53 P04637 2/20 0.41
MAPK14 Q16539 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC6A2 P23975 3/20 0.41
SLC6A3 Q01959 2/20 0.41
LMNA P02545 3/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
IDO2 Q6ZQW0 1/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
SLC6A4 P31645 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL3615705 0.94 TP53 (0.43) PLK1TP53MAPK14SMN1; SMN2SLC6A2
SCHEMBL3601735 0.91 PLK1 (0.41) PLK1TP53MAPK14SMN1; SMN2LMNA
SCHEMBL3615082 0.91 TP53 (0.42) PLK1TP53MAPK14SMN1; SMN2SLC6A2
SCHEMBL3615703 0.89 TP53 (0.43) PLK1TP53MAPK14SMN1; SMN2LMNA
SCHEMBL4056335 0.87 SLC6A2 (0.48) TP53SMN1; SMN2SLC6A2SLC6A3POLB
SCHEMBL3599871 0.87 SLC6A2 (0.48) PLK1TP53MAPK14SMN1; SMN2SLC6A2
SCHEMBL4054208 0.86 GPR119 (0.41) TP53SLC6A2SLC6A3SLC6A4RXFP1
SCHEMBL4059344 0.85 SLC6A2 (0.46) PLK1SLC6A2SLC6A3SLC6A4
SCHEMBL3615080 0.85 TP53 (0.42) PLK1TP53MAPK14SMN1; SMN2LMNA
SCHEMBL3603719 0.84 SLC6A2 (0.46) TP53SLC6A2SLC6A3MAPTSLC6A4

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 PLK1 4090/4885TP53 4581/4885MAPK14 536/4885
US-20080167303-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 PLK1 4090/4885TP53 4581/4885MAPK14 536/4885

“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.