SCHEMBL6027457

SCHEMBL6027457

NC(c1ccccc1)C(O)C(=O)O.[Na]

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.54
LMNA P02545 4/20 0.52
MAPK1 P28482 1/20 0.52
CYP2D6 P10635 1/20 0.48
SRC P12931 1/20 0.48
HIF1A Q16665 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ADRA2A P08913 1/20 0.43
ADRA2C P18825 1/20 0.43
GRM2 Q14416 1/20 0.43
GRM3 Q14832 1/20 0.43

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
SCHEMBL4073511 0.98 DPP4 (0.56) DPP4LMNAMAPK1CYP2D6SRC
SCHEMBL5860807 0.98 DPP4 (0.56) DPP4LMNAMAPK1CYP2D6SRC
SCHEMBL939043 0.98 DPP4 (0.56) DPP4LMNAMAPK1CYP2D6SRC
SCHEMBL8058962 0.98 DPP4 (0.56) DPP4LMNAMAPK1CYP2D6SRC
SCHEMBL487425 0.98 DPP4 (0.56) DPP4LMNAMAPK1CYP2D6SRC
SCHEMBL939042 0.98 DPP4 (0.56) DPP4LMNAMAPK1CYP2D6SRC
Hydrochloric Acid SCHEMBL8073692 0.96 DPP4 (0.54) DPP4LMNAMAPK1CYP2D6SRC
Hydrochloric Acid SCHEMBL5860803 0.96 DPP4 (0.54) DPP4LMNAMAPK1CYP2D6SRC
Hydrochloric Acid SCHEMBL3184809 0.96 DPP4 (0.54) DPP4LMNAMAPK1CYP2D6SRC
Cadaverine Tartrate SCHEMBL30110790 0.89 DPP4 (0.64) DPP4LMNAMAPK1CYP2D6SRC

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-7034178-B2 Process for the production of 3-phenylisoserine ALTANA PHARMA AG (DE) 2006-04-25 US disclosed
US-20060041163-A1 Process for the production of optically active 3-phenylisoserine ALTANA PHARMA AG 2006-02-23 US disclosed
EP-1463699-A2 PROCESS FOR THE PRODUCTION OF 3-PHENYLISOSERINE ALTANA Pharma AG (DE) 2004-10-06 EP disclosed
US-20040176460-A1 Use of L-(+)-tartaric acid in the separation of (R, R)-3-phenylisoserine or a derivative thereof from racemic mixtures ALTANA PHARMA AG (DE) 2004-09-09 US disclosed
WO-2003003804-A2 PROCESS FOR THE PRODUCTION OF OPTICALLY ACTIVE 3-PHENYLISOSERINE ALTANA PHARMA AG (DE) 2003-01-16 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 (2 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-20060041163-A1 Process for the production of optically active 3-phenylisoserine PSPH, PCMT1, SRR DPP4 709/4885LMNA 4291/4885MAPK1 2016/4885
US-20040176460-A1 Use of L-(+)-tartaric acid in the separation of (R, R)-3-phenylisoserine or a derivative thereof from racemic mixtures SRR, PCMT1, PSAT1 DPP4 1579/4885LMNA 3896/4885MAPK1 1878/4885

“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.