SCHEMBL3615705

SCHEMBL3615705

CC(C)(C)OC(=O)N1CCN(CCN2c3c(F)cccc3N(c3ccc(F)cc3F)S2(=O)=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PLK1 P53350 1/20 0.42
LMNA P02545 4/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 2/20 0.41
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
MAPK14 Q16539 1/20 0.40
THRB P10828 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
IDO2 Q6ZQW0 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
SCHEMBL3615082 0.97 TP53 (0.42) TP53SMN1; SMN2PLK1LMNASLC6A2
SCHEMBL3601740 0.94 PLK1 (0.41) TP53SMN1; SMN2PLK1LMNASLC6A2
SCHEMBL3615703 0.91 TP53 (0.43) TP53SMN1; SMN2PLK1LMNAMAPT
SCHEMBL3601735 0.89 PLK1 (0.41) TP53SMN1; SMN2PLK1LMNAMAPT
SCHEMBL3615080 0.88 TP53 (0.42) TP53SMN1; SMN2PLK1LMNAMAPT
SCHEMBL3599871 0.88 SLC6A2 (0.48) TP53SMN1; SMN2PLK1LMNASLC6A2
SCHEMBL3611607 0.86 SLC6A2 (0.46) SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL3598419 0.85 SLC6A2 (0.45) SLC6A2SLC6A3
SCHEMBL4056335 0.84 SLC6A2 (0.48) TP53SMN1; SMN2SLC6A2SLC6A3MAPT
SCHEMBL4062477 0.84 SLC6A2 (0.50) TP53SLC6A2SLC6A3MAPTTHRB

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 TP53 4581/4885SMN1; SMN2 222/4885PLK1 4090/4885
US-20080167303-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 TP53 4581/4885SMN1; SMN2 222/4885PLK1 4090/4885

“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.