SCHEMBL3956295

SCHEMBL3956295

CCCCCCCCCCN[C@H](CC(C)C)C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 3/20 0.49
MMP8 P22894 1/20 0.45
ZDHHC7 Q9NXF8 1/20 0.45
EPHX1 P07099 5/20 0.44
PLA2G2A P14555 2/20 0.44
PLA2G5 P39877 2/20 0.44
BCHE P06276 1/20 0.44
TAS1R3 Q7RTX0 3/20 0.43
TAS1R1 Q7RTX1 3/20 0.43
FOLH1 Q04609 1/20 0.40

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
SCHEMBL3957109 1.00 BIRC2 (0.49) BIRC2MMP8ZDHHC7EPHX1PLA2G2A
SCHEMBL3957111 1.00 BIRC2 (0.49) BIRC2MMP8ZDHHC7EPHX1PLA2G2A
SCHEMBL3962361 0.93 BCHE (0.49) BIRC2BCHETAS1R3TAS1R1FOLH1
SCHEMBL3962360 0.93 BCHE (0.49) BIRC2BCHETAS1R3TAS1R1FOLH1
SCHEMBL2503547 0.93 FOLH1 (0.44) BIRC2BCHETAS1R3TAS1R1FOLH1
SCHEMBL9064118 0.86 BIRC2 (0.53) BIRC2MMP8ZDHHC7PLA2G2APLA2G5
SCHEMBL31522689 0.86 BCHE (0.44) BIRC2MMP8EPHX1PLA2G2APLA2G5
Hydrochloric Acid SCHEMBL30670634 0.84 TAS1R3 (0.46) BIRC2BCHETAS1R3TAS1R1FOLH1
SCHEMBL28722621 0.84 ZDHHC7 (0.49) ZDHHC7EPHX1
SCHEMBL25335737 0.83 PLA2G2A (0.58) MMP8EPHX1PLA2G2APLA2G5BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8552208-B2 Analogs of tetramic acid University of Tennesseee Research Foundation (US) 2013-10-08 US disclosed
WO-2009035553-A2 ANALOGS OF TETRAMIC ACID UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2009-03-19 WO disclosed
US-20090069406-A1 Analogs of tetramic acid NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-03-12 US disclosed
US-20090069406-A1 Analogs of tetramic acid NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-03-12 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-20090069406-A1 Analogs of tetramic acid TFRC, SLC7A1, FTH1 BIRC2 4251/4885MMP8 2086/4885ZDHHC7 4169/4885

“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.