SCHEMBL918642

SCHEMBL918642

CC(C)(NCc1ccc(Oc2ccc3c(c2)OCO3)cc1)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.50
MMP2 P08253 2/20 0.50
MMP13 P45452 2/20 0.50
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CHEK2 O96017 1/20 0.44
HSD17B10 Q99714 2/20 0.44
FPR2 P25090 1/20 0.43
SCN9A Q15858 1/20 0.43
RAB9A P51151 2/20 0.43
CYP3A4 P08684 1/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 2/20 0.43
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP14 P50281 1/20 0.42

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
SCHEMBL921429 0.86 NPC1 (0.60) MMP1MMP2MMP13ALDH1A1SMN1; SMN2
SCHEMBL4991933 0.80 ALDH1A1 (0.52) MMP1MMP2MMP13ALDH1A1MAPK1
SCHEMBL16892226 0.80 ALDH1A1 (0.52) MMP1MMP2MMP13ALDH1A1MAPK1
SCHEMBL16892220 0.79 SCN9A (0.55) ALDH1A1MAPK1SMN1; SMN2KMT2AMEN1
SCHEMBL7454611 0.79 ALDH1A1 (0.49) MMP1MMP2MMP13ALDH1A1MAPK1
SCHEMBL919061 0.79 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2CHEK2HSD17B10RAB9A
SCHEMBL918991 0.79 MAPK14 (0.50) MMP1MMP2MMP13ALDH1A1MAPK1
SCHEMBL919294 0.78 SLC1A3 (0.44) MMP1MMP2MMP13FPR2SCN9A
SCHEMBL919168 0.78 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2CHEK2HSD17B10RAB9A
SCHEMBL919807 0.77 CYP2C19 (0.47) ALDH1A1KMT2AMEN1RAB9ACYP3A4

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303568-A1 Substituted 2-Aminoacetamides and the Use Thereof PURDUE NEUROSCIENCE COMPANY (US) 2013-11-14 US claimed
EP-1032377-A4 SUBSTITUTED 2-AMINOACETAMIDES AND THE USE THEREOF EURO CELTIQUE SA (LU) 2006-06-14 EP claimed
US-20030130295-A1 Substituted 2-aminoacetamides and the use thereof EURO-CELTIQUE S.A. 2003-07-10 US claimed
US-6479484-B1 SUBSTITUTED 2-AMINOACETAMIDES AND THE DISCOVERY THAT THESE COMPOUNDS ACT AS BLOCKERS OF SODIUM CHANNELS; PAIN RELIEVERS, TREATMENT OF ARRYTHMIA, LOCAL ANESTHETICS EURO-CELTIQUE S.A. (LU) 2002-11-12 US claimed
US-20020016464-A1 Substituted 2-aminoacetamides and the use thereof EURO-CELTIQUE S.A. 2002-02-07 US claimed
EP-1032377-A1 SUBSTITUTED 2-AMINOACETAMIDES AND THE USE THEREOF Euro-Celtique S.A. (LU) 2000-09-06 EP claimed
US-20130303568-A1 Substituted 2-Aminoacetamides and the Use Thereof PURDUE NEUROSCIENCE COMPANY (US) 2013-11-14 US disclosed
US-20130303568-A1 Substituted 2-Aminoacetamides and the Use Thereof PURDUE NEUROSCIENCE COMPANY (US) 2013-11-14 US disclosed
US-8426431-B2 Substituted 2-aminoacetamides and the use thereof PURDUE NEUROSCIENCE COMPANY (US) 2013-04-23 US disclosed
US-8426431-B2 Substituted 2-aminoacetamides and the use thereof PURDUE NEUROSCIENCE COMPANY (US) 2013-04-23 US disclosed
EP-2201945-B1 Use of substituted 2-aminoacetamides for treating or ameliorating anxiety PURDUE NEUROSCIENCE COMPANY (US) 2013-03-06 EP disclosed
EP-2201945-B1 Use of substituted 2-aminoacetamides for treating or ameliorating anxiety PURDUE NEUROSCIENCE COMPANY (US) 2013-03-06 EP disclosed
EP-2201944-B1 Use of substituted 2-aminoacetamides for treating, preventing or ameliorating manic depression PURDUE NEUROSCIENCE COMPANY (US) 2012-05-23 EP disclosed
US-20020037926-A1 Sodium channel blocker compositions and the use thereof PURDUE PHARMA LTD. 2002-03-28 US disclosed
WO-2000061188-A9 SODIUM CHANNEL BLOCKER COMPOSITIONS AND THE USE THEREOF EURO CELTIQUE SA (LU) 2002-02-14 WO disclosed
US-20020016464-A1 Substituted 2-aminoacetamides and the use thereof EURO-CELTIQUE S.A. 2002-02-07 US disclosed
EP-1169060-A1 SODIUM CHANNEL BLOCKER COMPOSITIONS AND THE USE THEREOF Euro-Celtique S.A. (LU) 2002-01-09 EP disclosed
WO-2000061188-A1 SODIUM CHANNEL BLOCKER COMPOSITIONS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2000-10-19 WO disclosed
EP-1032377-A1 SUBSTITUTED 2-AMINOACETAMIDES AND THE USE THEREOF Euro-Celtique S.A. (LU) 2000-09-06 EP disclosed
WO-1999026614-A1 SUBSTITUTED 2-AMINOACETAMIDES AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 1999-06-03 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 (4 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-20130303568-A1 Substituted 2-Aminoacetamides and the Use Thereof SLC1A2, GAP43, SCN2A MMP1 1452/4885MMP2 1682/4885MMP13 2548/4885
US-20020037926-A1 Sodium channel blocker compositions and the use thereof CACNA1B, CACNB2, CACNA1C MMP1 3342/4885MMP2 2467/4885MMP13 2549/4885
US-20020016464-A1 Substituted 2-aminoacetamides and the use thereof SLC1A2, SLC1A1, SCN2A MMP1 429/4885MMP2 780/4885MMP13 968/4885
US-20030130295-A1 Substituted 2-aminoacetamides and the use thereof SLC1A2, GAP43, SCN2A MMP1 784/4885MMP2 1502/4885MMP13 2695/4885

“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.