SCHEMBL3608780

SCHEMBL3608780

CC(C)(C)OC(=O)N1CCC(CCN2c3ccccc3N(c3ccc(F)cc3F)S2(O)O)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
GPR119 Q8TDV5 3/20 0.45
TP53 P04637 3/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
LIMK2 P53671 1/20 0.42

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
SCHEMBL4055778 0.93 GPR119 (0.43) SMN1; SMN2GPR119KDM4EPKMLIMK2
SCHEMBL3600863 0.92 KDM4E (0.46) SMN1; SMN2GPR119TP53MAPTKDM4E
SCHEMBL3608226 0.91 SLC6A2 (0.52) SMN1; SMN2GPR119TP53LMNAMAPT
SCHEMBL4066283 0.87 GPR119 (0.45) SMN1; SMN2GPR119MAPTKDM4EPKM
SCHEMBL4055717 0.86 KDM4E (0.45) SMN1; SMN2GPR119MAPTKDM4EPKM
SCHEMBL3599868 0.84 PLK1 (0.41) SMN1; SMN2TP53LMNA
SCHEMBL4062687 0.84 GPR119 (0.55) GPR119TP53KDM4EPKMLIMK2
SCHEMBL4055780 0.84 SLC6A2 (0.52) SMN1; SMN2GPR119KDM4EPKM
SCHEMBL3600866 0.82 SLC6A2 (0.48) SMN1; SMN2GPR119TP53MAPTKDM4E
SCHEMBL4063283 0.80 GPR119 (0.48) SMN1; SMN2GPR119MAPTKDM4EPKM

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 SMN1; SMN2 222/4885GPR119 95/4885TP53 4581/4885
US-20080167303-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 SMN1; SMN2 222/4885GPR119 95/4885TP53 4581/4885

“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.