SCHEMBL21661351

SCHEMBL21661351

CC(C)NC(=O)[C@H](N)[C@H](C)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.43
DPP7 Q9UHL4 3/20 0.43
DPP8 Q6V1X1 2/20 0.43
DPP9 Q86TI2 2/20 0.43
FAP Q12884 1/20 0.43
CTSC P53634 1/20 0.41
SPHK1 Q9NYA1 4/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
CA9 Q16790 1/20 0.36
TSHR P16473 1/20 0.36
TARS1 P26639 1/20 0.35
SLC7A5 Q01650 1/20 0.35
PREP P48147 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL13523609 1.00 DPP4 (0.43) DPP4DPP7DPP8DPP9FAP
SCHEMBL21034775 1.00 DPP4 (0.43) DPP4DPP7DPP8DPP9FAP
SCHEMBL5323496 0.82 DPP4 (0.61) DPP4DPP7DPP8DPP9FAP
SCHEMBL10453806 0.82 DPP4 (0.61) DPP4DPP7DPP8DPP9FAP
SCHEMBL11930748 0.82 DPP4 (0.61) DPP4DPP7DPP8DPP9FAP
SCHEMBL31748278 0.79 DPP4 (0.39) DPP4DPP7DPP8DPP9FAP
SCHEMBL22503644 0.79 MME (0.44) DPP4DPP7DPP8DPP9FAP
SCHEMBL29532544 0.79 MME (0.44) DPP4DPP7DPP8DPP9FAP
SCHEMBL5793218 0.79 MME (0.44) DPP4DPP7DPP8DPP9FAP
SCHEMBL5791410 0.79 MME (0.44) DPP4DPP7DPP8DPP9FAP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024100139-A1 USE OF IFN-I ACTIVITY AS A BIOMARKER FOR TLR INHIBITOR TREATMENT MERCK PATENT GMBH (DE) 2024-05-16 WO disclosed
US-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-09-30 US disclosed
WO-2020025517-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-02-06 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-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 DPP4 1190/4885DPP7 461/4885DPP8 57/4885

“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.