SCHEMBL5164618

SCHEMBL5164618

COc1ccccc1S(=O)(=O)NCC1CCCCN1C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.51
TGFBR1 P36897 5/20 0.49
OPRD1 P41143 1/20 0.45
STS P08842 1/20 0.43
AHCY P23526 2/20 0.42
DPP4 P27487 1/20 0.42
PRMT5 O14744 1/20 0.42
HCRTR2 O43614 1/20 0.42
NR1H2 P55055 1/20 0.42
APP P05067 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
SLC6A2 P23975 1/20 0.41
HRH2 P25021 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2A P28223 1/20 0.41

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
SCHEMBL21752762 0.87 DPP4 (0.56) KDM1ATGFBR1OPRD1AHCYDPP4
SCHEMBL4663275 0.82 TGFBR1 (0.54) KDM1ATGFBR1OPRD1DPP4HCRTR2
SCHEMBL21714047 0.82 KDM1A (0.47) KDM1AOPRD1STSAHCYDPP4
SCHEMBL29819176 0.82 KDM1A (0.47) KDM1AOPRD1STSAHCYDPP4
SCHEMBL5163011 0.79 TGFBR1 (0.56) KDM1ATGFBR1
SCHEMBL21664373 0.78 KDM1A (0.49) KDM1AOPRD1DPP4PRMT5HCRTR2
SCHEMBL21713659 0.78 KDM1A (0.47) KDM1AOPRD1AHCYPRMT5APP
SCHEMBL29819318 0.78 KDM1A (0.47) KDM1AOPRD1AHCYPRMT5APP
SCHEMBL17393885 0.76 ATM (0.58) KDM1ATGFBR1OPRD1STSDPP4
SCHEMBL17393887 0.76 ATM (0.58) KDM1ATGFBR1OPRD1STSDPP4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765332-A2 TRISUBSTITUTED NITROGEN MODULATORS OF TYROSINE PHOSPHATASES Cengent Therapeutics, Inc. (US) 2007-03-28 EP disclosed
US-20060135773-A1 Trisubstituted nitrogen modulators of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2006-06-22 US disclosed
WO-2006009876-A2 TRISUBSTITUTED NITROGEN MODULATORS OF TYROSINE PHOSPHATASES CENGENT THERAPEUTICS, INC. (US) 2006-01-26 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 (1 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-20060135773-A1 Trisubstituted nitrogen modulators of tyrosine phosphatases PTPA, PTPN1, PTPRS KDM1A 609/4885TGFBR1 4394/4885OPRD1 3889/4885

“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.