SCHEMBL495567

SCHEMBL495567

CN(C[C@H](O)[C@H](N)Cc1ccccc1)S(C)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPPL2A Q8TCT8 1/20 0.50
CSNK1E P49674 1/20 0.48
F2 P00734 2/20 0.44
PER2 O15055 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CRY1 Q16526 1/20 0.44
CRY2 Q49AN0 1/20 0.44
LAP3 P28838 5/20 0.43
ANPEP P15144 2/20 0.43
RNPEP Q9H4A4 1/20 0.43
DNPEP Q9ULA0 1/20 0.43
TSHR P16473 1/20 0.43
SLC15A1 P46059 1/20 0.42
EPHX1 P07099 1/20 0.42
ALPI P09923 1/20 0.40
PKM P14618 1/20 0.40
PTGS1 P23219 1/20 0.40
XIAP P98170 1/20 0.40
SLC7A5 Q01650 1/20 0.40
SLC6A2 P23975 2/20 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
Hydrochloric Acid SCHEMBL497123 0.99 SPPL2A (0.49) SPPL2ACSNK1EF2PER2ALDH1A1
SCHEMBL14390723 0.86 SPPL2A (0.54) SPPL2ACSNK1EF2ALDH1A1LAP3
SCHEMBL14508161 0.82 SPPL2A (0.65) SPPL2ACSNK1EF2PER2ALDH1A1
SCHEMBL496237 0.81 CSNK1E (0.55) SPPL2ACSNK1ELAP3ANPEPRNPEP
SCHEMBL26941825 0.80 CSNK1E (0.51) SPPL2ACSNK1EF2LAP3ANPEP
Hydrochloric Acid SCHEMBL496260 0.80 CSNK1E (0.54) SPPL2ACSNK1ELAP3ANPEPRNPEP
Hydrochloric Acid SCHEMBL15062952 0.80 CSNK1E (0.54) SPPL2ACSNK1ELAP3ANPEPRNPEP
Hydrochloric Acid SCHEMBL4789127 0.80 CSNK1E (0.54) SPPL2ACSNK1ELAP3ANPEPRNPEP
SCHEMBL5106607 0.78 CSNK1E (0.49) SPPL2ACSNK1ELAP3ANPEPRNPEP
SCHEMBL13118762 0.77 SPPL2A (0.53) SPPL2ACSNK1ELAP3ANPEPRNPEP

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-1910317-B1 1-AMINO LINKED COMPOUNDS LILLY CO ELI (US) 2013-07-03 EP disclosed
EP-1910317-B1 1-AMINO LINKED COMPOUNDS LILLY CO ELI (US) 2013-07-03 EP disclosed
US-8106090-B2 Antidiabetic agents; prevent of non-insulin dependent diabetes ELI LILLY AND COMPANY (US) 2012-01-31 US disclosed
US-8106090-B2 Antidiabetic agents; prevent of non-insulin dependent diabetes ELI LILLY AND COMPANY (US) 2012-01-31 US disclosed
US-20080207735-A1 1-Amino Linked Compounds ELI LILLY AND COMPANY 2008-08-28 US disclosed
US-20080207735-A1 1-Amino Linked Compounds ELI LILLY AND COMPANY 2008-08-28 US disclosed
WO-2007015805-A1 1-AMINO LINKED COMPOUNDS ELI LILLY AND COMPANY (US) 2007-02-08 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-20080207735-A1 1-Amino Linked Compounds DPP4, DPP3, DPP9 SPPL2A 2493/4885CSNK1E 194/4885F2 3381/4885

“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.