SCHEMBL21661368

SCHEMBL21661368

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 3/20 0.46
▸ SPHK1 Q9NYA1 1/20 0.36
▸ TSHR P16473 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP8 P22894 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ FAP Q12884 1/20 0.32
▸ DPP8 Q6V1X1 1/20 0.32
▸ DPP9 Q86TI2 1/20 0.32
▸ DPP7 Q9UHL4 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ LMNA P02545 1/20 0.31

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
SCHEMBL4127016 0.84 DPP4 (0.62) DPP4TSHRALDH1A1MAPTPTGS1
SCHEMBL19845903 0.77 DPP4 (0.41) DPP4TSHRALDH1A1CA12CA1
SCHEMBL19000008 0.77 DPP4 (0.41) DPP4TSHRALDH1A1CA12CA1
SCHEMBL19000043 0.77 DPP4 (0.41) DPP4TSHRALDH1A1CA12CA1
SCHEMBL3416457 0.76 SPHK1 (0.41) DPP4SPHK1ALDH1A1MAPTPTGS1
SCHEMBL23866562 0.74 CA12 (0.34) DPP4TSHRALDH1A1CA12CA1
SCHEMBL23866563 0.74 CA12 (0.34) DPP4TSHRALDH1A1CA12CA1
SCHEMBL23866540 0.74 CA12 (0.34) DPP4TSHRALDH1A1CA12CA1
SCHEMBL24543402 0.74 SPHK1 (0.37) DPP4SPHK1ALDH1A1MAPTPTGS1
SCHEMBL6010131 0.72 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1190/4885SPHK1 1314/4885TSHR 705/4885

“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.

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