SCHEMBL3603309

SCHEMBL3603309

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.41
SLC6A2 P23975 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SIGMAR1 Q99720 4/20 0.40
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
PDK2 Q15119 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
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
SCHEMBL3603769 0.95 CHRM2 (0.41) ACKR3SLC6A2CHRM2CHRM4CHRM1
SCHEMBL3603312 0.91 SLC6A2 (0.51) ACKR3SLC6A2CHRM2CHRM4CHRM1
SCHEMBL4053514 0.90 CHRM2 (0.42) ACKR3CHRM2CHRM4CHRM1CHRM3
SCHEMBL4062472 0.88 CHRM2 (0.43) ACKR3SLC6A2CHRM2CHRM4CHRM1
SCHEMBL4058427 0.87 GPR119 (0.46) ACKR3CHRM2CHRM4CHRM1CHRM3
SCHEMBL4059629 0.87 PLK1 (0.43) ACKR3SLC6A2CHRM2CHRM4CHRM1
SCHEMBL3598862 0.86 CHRM2 (0.41) ACKR3CHRM2CHRM4CHRM1CHRM3
SCHEMBL4059340 0.86 ACKR3 (0.41) ACKR3SLC6A2CHRM2CHRM4CHRM1
SCHEMBL4056334 0.86 CHRM2 (0.42) ACKR3SLC6A2CHRM2CHRM4CHRM1
SCHEMBL3603770 0.85 SLC6A2 (0.49) ACKR3SLC6A2CHRM2CHRM4CHRM1

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 ACKR3 3532/4885SLC6A2 2/4885CHRM2 988/4885
US-20080167303-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 ACKR3 3532/4885SLC6A2 2/4885CHRM2 988/4885

“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.