SCHEMBL3166275

SCHEMBL3166275

CC(C)(C)OC(=O)N[C@@H](CC1CCCCN1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.49
CTSS P25774 5/20 0.49
IDO1 P14902 1/20 0.46
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
FDPS P14324 1/20 0.41
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 2/20 0.40
KMT2A Q03164 2/20 0.40
MITF O75030 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NLRP1 Q9C000 1/20 0.40
GPR55 Q9Y2T6 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
SCHEMBL3814600 0.82 CTSK (0.68) CTSKCTSSIDO1HDAC4HDAC1
SCHEMBL3814592 0.82 CTSK (0.68) CTSKCTSSIDO1HDAC4HDAC1
SCHEMBL3819388 0.82 CTSK (0.68) CTSKCTSSIDO1HDAC4HDAC1
SCHEMBL16945 0.81 CTSK (0.70) CTSKCTSSIDO1HDAC4HDAC1
SCHEMBL21427213 0.81 CTSK (0.70) CTSKCTSSIDO1HDAC4HDAC1
SCHEMBL482062 0.81 CTSK (0.70) CTSKCTSSIDO1HDAC4HDAC1
SCHEMBL9742302 0.81 CTSK (0.70) CTSKCTSSIDO1HDAC4HDAC1
SCHEMBL21427220 0.81 CTSK (0.70) CTSKCTSSIDO1HDAC4HDAC1
SCHEMBL9742291 0.81 CTSK (0.70) CTSKCTSSIDO1HDAC4HDAC1
SCHEMBL9556128 0.81 CTSK (0.70) CTSKCTSSIDO1HDAC4HDAC1

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
EP-1862457-B1 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SMITHKLINE BEECHAM CORP (US) 2010-01-20 EP disclosed
EP-1862457-A2 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SmithKline Beecham Corporation (US) 2007-12-05 EP disclosed
EP-1406873-B1 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-09-26 EP disclosed
US-7132443-B2 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SMITHKLINEBEECHAM CORPORATION (US) 2006-11-07 US disclosed
US-20040171848-A1 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SMITHKLINE BEECHAM CORPORATION 2004-09-02 US 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-20040171848-A1 Fluoropyrrolidines as dipeptidyl peptidase inhibitors DPP4, DPP3, DPP7 CTSK 111/4885CTSS 130/4885IDO1 2847/4885

“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.