SCHEMBL2498935

SCHEMBL2498935

CN(C(=O)OCc1ccccc1)[C@@](C)(C(=O)O)c1ccc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
ACHE P22303 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX5 P09917 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CASP1 P29466 1/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL7951407 0.82 SLC6A4 (0.40) ALDH1A1CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL6324696 0.80 FABP5 (0.41) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL2497087 0.78 ALDH1A1 (0.40) ALDH1A1SLC6A2SLC6A3MAPTHPGD
SCHEMBL4679715 0.77 ALDH1A1 (0.46) ALDH1A1SLC6A2SLC6A3CTSLCTSB
SCHEMBL9737664 0.76 SIGMAR1 (0.40) ALDH1A1CYP3A4CTSLCTSBCTSS
SCHEMBL1285759 0.76 ALDH1A1 (0.51) ALDH1A1SLC6A2SLC6A3MAPTHPGD
SCHEMBL23944461 0.75 ALDH1A1 (0.55) ALDH1A1SLC6A2SLC6A3MAPTHPGD
SCHEMBL25901621 0.74 ALDH1A1 (0.53) ALDH1A1SLC6A2SLC6A3MAPTHPGD
SCHEMBL8721672 0.72 CYP3A4 (0.39) ALDH1A1CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL25178599 0.72 ALDH1A1 (0.47) ALDH1A1CYP3A4CYP2D6SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030279-B2 Tamandarin analogs and fragments thereof and methods of making and using THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-10-04 US disclosed
EP-1613338-A4 TAMANDARIN ANALOGS AND FRAGMENTS THEREOF AND METHODS OF MAKING AND USING JOULLIE MADELEINE M (US) 2009-06-24 EP disclosed
US-20070149446-A1 Tamandarin analogs and fragments thereof and methods of making and using THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA CENTER FOR TECHNOLOGY TRANSFER (US) 2007-06-28 US disclosed
EP-1613338-A2 TAMANDARIN ANALOGS AND FRAGMENTS THEREOF AND METHODS OF MAKING AND USING Joullie, Madeleine M. (US) 2006-01-11 EP disclosed
WO-2004084812-A2 TAMANDARIN ANALOGS AND FRAGMENTS THEREOF AND METHODS OF MAKING AND USING JOULLIE MADELEINE M (US) 2004-10-07 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-20070149446-A1 Tamandarin analogs and fragments thereof and methods of making and using FOXM1, F3, RB1 ALDH1A1 1558/4885CYP3A4 1401/4885CYP2D6 1875/4885

“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.