SCHEMBL3606598

SCHEMBL3606598

OS1(O)N(CCOCCNC2CCCC2)c2ccccc2N1c1c(F)cccc1F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.39
SLC6A3 Q01959 3/20 0.39
KCNH2 Q12809 1/20 0.39
FOXM1 Q08050 2/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
OPRL1 P41146 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC6A4 P31645 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
Hydrochloric Acid SCHEMBL3607550 0.99 SLC6A2 (0.38) SLC6A2SLC6A3KCNH2FOXM1KDM4E
SCHEMBL3609097 0.98 SLC6A2 (0.39) SLC6A2SLC6A3KCNH2FOXM1KDM4E
Hydrochloric Acid SCHEMBL3597555 0.97 SLC6A2 (0.38) SLC6A2SLC6A3KCNH2FOXM1KDM4E
SCHEMBL3605896 0.96 SLC6A2 (0.38) SLC6A2SLC6A3KCNH2FOXM1KDM4E
Hydrochloric Acid SCHEMBL3607042 0.95 SLC6A2 (0.37) SLC6A2SLC6A3KCNH2FOXM1KDM4E
SCHEMBL3606595 0.89 SLC6A2 (0.48) SLC6A2SLC6A3KCNH2FOXM1KDM4E
Hydrochloric Acid SCHEMBL3607540 0.88 SLC6A2 (0.48) SLC6A2SLC6A3KCNH2FOXM1KDM4E
SCHEMBL4058034 0.87 SLC6A2 (0.41) SLC6A2SLC6A3KCNH2ALDH1A1OPRL1
SCHEMBL3609089 0.87 SLC6A2 (0.48) SLC6A2SLC6A3KCNH2FOXM1SLC6A4
SCHEMBL4063658 0.86 SLC6A2 (0.41) SLC6A2SLC6A3KCNH2ALDH1A1OPRL1

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 10 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 claimed
US-7601722-B2 Aryl sulfamide derivatives and methods of their use WYETH (US) 2009-10-13 US claimed
EP-2061776-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE Wyeth a Corporation of the State of Delaware (US) 2009-05-27 EP claimed
US-20080167303-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-10 US claimed
WO-2008073459-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-19 WO claimed
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 SLC6A2 2/4885SLC6A3 3/4885KCNH2 2779/4885
US-20080167303-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 SLC6A2 2/4885SLC6A3 3/4885KCNH2 2779/4885

“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.