SCHEMBL3379045

SCHEMBL3379045

O=C(O)CC[C@@H](C(=O)O)N(Cl)Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 3/20 0.52
KDM4A O75164 2/20 0.52
KDM4C Q9H3R0 2/20 0.52
KDM2A Q9Y2K7 2/20 0.52
TET3 O43151 1/20 0.52
FOLH1 Q04609 10/20 0.44
CYP1A2 P05177 2/20 0.44
GRM3 Q14832 2/20 0.44
GRM8 O00222 1/20 0.44
GRM6 O15303 1/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GSR P00390 1/20 0.44
GRIK1 P39086 1/20 0.44
GRM5 P41594 1/20 0.44
GRIA1 P42261 1/20 0.44
GRIA2 P42262 1/20 0.44
GRIA3 P42263 1/20 0.44
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44

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
SCHEMBL3379044 1.00 TET2 (0.52) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL11712215 0.82 KMT2A (0.50) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL3883135 0.82 KMT2A (0.50) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL3377870 0.82 TET2 (0.43) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL3377867 0.82 TET2 (0.43) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL11711858 0.80 GPR84 (0.33) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL4781073 0.78 TET2 (0.48) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL4713126 0.78 TET2 (0.48) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL7628611 0.77 CYP1A2 (0.52) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL7628614 0.77 CYP1A2 (0.52) TET2KDM4AKDM4CKDM2ATET3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120555-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN Heller, Adam (US) 2009-11-25 EP claimed
US-20080287866-A1 Methods and compositions for the treatment of pain HELLER ADAM 2008-11-20 US claimed
WO-2008094664-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2008-08-07 WO claimed
WO-2010017405-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2010-02-11 WO disclosed
EP-2120555-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN Heller, Adam (US) 2009-11-25 EP disclosed
US-20080287866-A1 Methods and compositions for the treatment of pain HELLER ADAM 2008-11-20 US disclosed
WO-2008094664-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2008-08-07 WO disclosed
US-4015008-A N,N-dichloro substituted aminocarboxylic acids as microbiocides NATIONAL PATENT DEVELOPMENT CORPORATION (US) 1977-03-29 US disclosed
US-3950536-A N,N-Dichloro substituted aminocarboxylic acids as bactericides and fungicides BARER SOL JOSEPH 1976-04-13 US 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-20080287866-A1 Methods and compositions for the treatment of pain ACHE, S100P, P2RX3 TET2 1310/4885KDM4A 2381/4885KDM4C 1074/4885

“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.