SCHEMBL8533256

SCHEMBL8533256

COc1ccc(C[C@H](N)C[C@H](C)C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.61
SLC6A4 P31645 1/20 0.56
MMP3 P08254 3/20 0.49
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
TPH1 P17752 2/20 0.46
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
ENPEP Q07075 2/20 0.45
L3MBTL1 Q9Y468 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
SCHEMBL8532710 0.87 SLC6A4 (0.54) LDHASLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL15139563 0.84 LDHA (0.65) LDHASLC6A4MMP3PPARGPPARA
SCHEMBL663059 0.84 LDHA (0.73) LDHASLC6A4MMP3PPARGPPARA
SCHEMBL8283100 0.84 LDHA (0.73) LDHASLC6A4MMP3PPARGPPARA
SCHEMBL18929189 0.83 ANPEP (0.43) LDHAENPEP
SCHEMBL8283122 0.83 ENPEP (0.49) PPARGPPARAENPEP
SCHEMBL12879843 0.83 ENPEP (0.49) ENPEP
SCHEMBL15134788 0.83 ENPEP (0.49) ENPEP
SCHEMBL12873867 0.83 ENPEP (0.49) ENPEP
SCHEMBL15147781 0.83 ENPEP (0.49) PPARGPPARAENPEP

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-8980833-B2 Tubulysine derivatives R&D-BIOPHARMACEUTICALS GMBH (DE) 2015-03-17 US disclosed
EP-2532673-A2 Tubulysine derivatives R & D Biopharmaceuticals Gmbh (DE) 2012-12-12 EP disclosed
US-20120129779-A1 TUBULYSINE DERIVATIVES R&D-BIOPHARMACEUTICALS GMBH (DE) 2012-05-24 US disclosed
WO-2008138561-A1 TUBULYSINE DERIVATIVES R & D BIOPHARMACEUTICALS GMBH (DE) 2008-11-20 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-20120129779-A1 TUBULYSINE DERIVATIVES GLS, TPX2, HKDC1 LDHA 1893/4885SLC6A4 1280/4885MMP3 465/4885

“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.