SCHEMBL3603312

SCHEMBL3603312

CC(C)(C)OC(=O)N1CCN(CCN2c3ccccc3N(c3ccc(F)c(F)c3)S2(=O)=O)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.51
SLC6A3 Q01959 5/20 0.51
ACKR3 P25106 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
PDK2 Q15119 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
PLK1 P53350 1/20 0.38
MMP2 P08253 1/20 0.38
MMP13 P45452 1/20 0.38
MMP14 P50281 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38
TERT O14746 1/20 0.37
SLC6A4 P31645 1/20 0.37
UTS2R Q9UKP6 1/20 0.37

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
SCHEMBL3603770 0.95 SLC6A2 (0.49) SLC6A2SLC6A3ACKR3CHRM2CHRM4
SCHEMBL3603309 0.91 ACKR3 (0.41) SLC6A2SLC6A3ACKR3CHRM2CHRM4
SCHEMBL4053517 0.90 SLC6A2 (0.48) SLC6A2SLC6A3ACKR3CHRM2CHRM4
SCHEMBL4062477 0.88 SLC6A2 (0.50) SLC6A2SLC6A3ACKR3CHRM2CHRM4
SCHEMBL4058421 0.87 SLC6A2 (0.48) SLC6A2SLC6A3ACKR3CHRM2CHRM4
SCHEMBL4059631 0.87 SLC6A2 (0.51) SLC6A2SLC6A3ACKR3CHRM2CHRM4
SCHEMBL4059344 0.86 SLC6A2 (0.46) SLC6A2SLC6A3ACKR3CHRM2CHRM4
SCHEMBL3598865 0.86 CHRM2 (0.41) SLC6A2SLC6A3ACKR3CHRM2CHRM4
SCHEMBL4056335 0.86 SLC6A2 (0.48) SLC6A2SLC6A3ACKR3CHRM2CHRM4
SCHEMBL3603769 0.85 CHRM2 (0.41) SLC6A2SLC6A3ACKR3CHRM2CHRM4

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 SLC6A2 2/4885SLC6A3 3/4885ACKR3 3532/4885
US-20080167303-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 SLC6A2 2/4885SLC6A3 3/4885ACKR3 3532/4885

“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.