SCHEMBL3377213

SCHEMBL3377213

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
OTC P00480 1/20 0.33
ALB P02768 1/20 0.32
DDAH1 O94760 1/20 0.32
GAA P10253 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 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
SCHEMBL3377211 1.00 ALOX15 (0.36) ALOX15MEN1KMT2ACYP1A2SMN1; SMN2
SCHEMBL3381913 0.87 OTC (0.35) ALOX15MEN1KMT2ACYP1A2SMN1; SMN2
SCHEMBL3381907 0.87 OTC (0.35) ALOX15MEN1KMT2ACYP1A2SMN1; SMN2
SCHEMBL28986669 0.85 ALOX15 (0.37) ALOX15MEN1KMT2ACYP1A2SMN1; SMN2
SCHEMBL19729337 0.84 ALOX15 (0.37) ALOX15MEN1KMT2ACYP1A2SMN1; SMN2
SCHEMBL288819 0.83 NOS2 (0.38) ALOX15MEN1KMT2ACYP1A2SMN1; SMN2
SCHEMBL160690 0.83 NOS2 (0.38) ALOX15MEN1KMT2ACYP1A2SMN1; SMN2
SCHEMBL196827 0.83 NOS2 (0.38) ALOX15MEN1KMT2ACYP1A2SMN1; SMN2
SCHEMBL2673036 0.83 ALOX15 (0.36) ALOX15MEN1KMT2ACYP1A2SMN1; SMN2
SCHEMBL2673040 0.83 ALOX15 (0.36) ALOX15MEN1KMT2ACYP1A2SMN1; SMN2

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 7 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

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 ALOX15 442/4885MEN1 4763/4885KMT2A 2389/4885

“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.