SCHEMBL2367441

SCHEMBL2367441

C[C@H](OC(=O)C(F)(F)F)[C@H](N)C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 1/20 0.44
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
ATM Q13315 1/20 0.40
LTA4H P09960 1/20 0.40
LAP3 P28838 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 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
Trifluoroacetic Acid SCHEMBL6394063 0.85 SLC15A1 (0.53) SLC15A1ALDH1A1KMT2AMEN1SLC1A3
Trifluoroacetic Acid SCHEMBL27745770 0.83 LTA4H (0.47) SLC15A1ALDH1A1KMT2AMEN1SLC1A3
SCHEMBL14682359 0.83 ALDH1A1 (0.57) SLC15A1ALDH1A1KMT2AMEN1SLC1A3
SCHEMBL14908324 0.83 ALDH1A1 (0.57) SLC15A1ALDH1A1KMT2AMEN1SLC1A3
Trifluoroacetic Acid SCHEMBL2367354 0.81 ALDH1A1 (0.50) SLC15A1ALDH1A1KMT2AMEN1SLC1A3
Trifluoroacetic Acid SCHEMBL27766342 0.81 ALDH1A1 (0.50) SLC15A1ALDH1A1KMT2AMEN1SLC1A3
Trifluoroacetic Acid SCHEMBL27959204 0.81 DPP4 (0.49) SLC15A1ALDH1A1KMT2AMEN1SLC1A3
SCHEMBL17137963 0.80 SLC1A3 (0.47) SLC15A1ALDH1A1KMT2AMEN1SLC1A3
SCHEMBL2367208 0.80 CTSB (0.44) SLC15A1KMT2AMEN1CYP2D6CYP2C9
SCHEMBL5196444 0.80 SLC1A3 (0.55) SLC15A1ALDH1A1KMT2AMEN1SLC1A3

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-2007794-B1 LYSOBACTIN AMIDES AICURIS GMBH & CO KG (DE) 2011-09-14 EP disclosed
EP-2004670-B1 PROCESS FOR THE MANUFACTURE OF LYSOBACTIN DERIVATIVES AICURIS GMBH & CO KG (DE) 2010-01-27 EP disclosed
US-20090163696-A1 METHOD FOR PREPARING LYSOBACTIN DERIVATIVES BAYER HEALTHCARE AG (DE) 2009-06-25 US disclosed
EP-2007794-A1 LYSOBACTIN AMIDES AiCuris GmbH & Co. KG (DE) 2008-12-31 EP disclosed
EP-2004670-A1 PROCESS FOR THE MANUFACTURE OF LYSOBACTIN DERIVATIVES AiCuris GmbH & Co. KG (DE) 2008-12-24 EP disclosed
WO-2007118693-A1 PROCESS FOR THE MANUFACTURE OF LYSOBACTIN DERIVATIVES AICURIS GMBH & CO. KG (DE) 2007-10-25 WO disclosed
WO-2007118691-A1 LYSOBACTIN AMIDES AICURIS GMBH & CO. KG (DE) 2007-10-25 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-20090163696-A1 METHOD FOR PREPARING LYSOBACTIN DERIVATIVES DLST, VIP, HAMP SLC15A1 1459/4885ALDH1A1 4567/4885KMT2A 1908/4885

“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.