SCHEMBL10030173

SCHEMBL10030173

CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC(F)(F)C1)[C@@H](O)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.44
DPP7 Q9UHL4 3/20 0.44
DPP8 Q6V1X1 2/20 0.44
DPP9 Q86TI2 2/20 0.44
MAPK1 P28482 2/20 0.39
CCR1 P32246 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 2/20 0.37
HRH2 P25021 2/20 0.37
HRH1 P35367 2/20 0.37
POLB P06746 1/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC1 Q13547 1/20 0.36
ALOX15 P16050 1/20 0.36
PREP P48147 1/20 0.35
PABPC1 P11940 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35

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
SCHEMBL10030166 0.85 CTSK (0.41) DPP4DPP7DPP8DPP9MEN1
SCHEMBL10030152 0.85 CTSK (0.41) DPP4DPP7DPP8DPP9MEN1
SCHEMBL10030150 0.85 CTSK (0.41) DPP4DPP7DPP8DPP9MEN1
SCHEMBL10030171 0.84 KMT2A (0.41) DPP4DPP7DPP8DPP9MEN1
SCHEMBL2697920 0.84 DPP4 (0.46) DPP4DPP7DPP8DPP9MAPK1
SCHEMBL8276053 0.82 DPP4 (0.40) DPP4DPP7DPP8DPP9CCR1
SCHEMBL13412178 0.82 DPP4 (0.40) DPP4DPP7DPP8DPP9CCR1
SCHEMBL9102306 0.81 CTSK (0.50) DPP4DPP7CCR1MEN1KMT2A
SCHEMBL9102311 0.81 CTSK (0.50) DPP4DPP7CCR1MEN1KMT2A
SCHEMBL10030160 0.80 DPP4 (0.48) DPP4DPP7DPP8DPP9

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-8168631-B2 3-(4-fluorophenyl)-3-hydroxy-2-amino-propionic acid amides and related compounds having analgesic activity ALLERGAN, INC. (US) 2012-05-01 US disclosed
US-8168631-B2 3-(4-fluorophenyl)-3-hydroxy-2-amino-propionic acid amides and related compounds having analgesic activity ALLERGAN, INC. (US) 2012-05-01 US disclosed
US-20090281085-A1 3-(4-FLUOROPHENYL)-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS HAVING ANALGESIC ACTIVITY ALLERGAN, INC. 2009-11-12 US disclosed
US-20090281085-A1 3-(4-FLUOROPHENYL)-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS HAVING ANALGESIC ACTIVITY ALLERGAN, INC. 2009-11-12 US disclosed
WO-2009100095-A1 3-(4-FLUOROPHENYL)-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS HAVING ANALGESIC ACTIVITY ALLERGAN, INC. (US) 2009-08-13 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-20090281085-A1 3-(4-FLUOROPHENYL)-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS HAVING ANALGESIC ACTIVITY OPRL1, OPRK1, OPRM1 DPP4 446/4885DPP7 385/4885DPP8 782/4885

“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.