SCHEMBL21661358

SCHEMBL21661358

CN[C@@H](CO)C(=O)NC(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.37
MME P08473 5/20 0.37
TGFBR1 P36897 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
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
TSHR P16473 1/20 0.33
FAAH O00519 1/20 0.32
MAPK1 P28482 1/20 0.32
ACE P12821 1/20 0.31
GAA P10253 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
SCHEMBL21661003 1.00 SPHK1 (0.37) SPHK1MMETGFBR1ALDH1A1MEN1
SCHEMBL20715285 0.82 ALDH1A1 (0.38) MMEALDH1A1MEN1KMT2ALMNA
SCHEMBL14588571 0.82 ALDH1A1 (0.38) MMEALDH1A1MEN1KMT2ALMNA
SCHEMBL14577477 0.80 ALDH1A1 (0.45) MMETGFBR1ALDH1A1MEN1KMT2A
SCHEMBL19498585 0.80 ALDH1A1 (0.52) MMEALDH1A1MEN1KMT2ALMNA
SCHEMBL12733455 0.80 ALDH1A1 (0.52) MMEALDH1A1MEN1KMT2ALMNA
SCHEMBL19993047 0.78
SCHEMBL15765660 0.78
SCHEMBL18568836 0.78 MME (0.36) SPHK1MMETGFBR1MMP8ACE
SCHEMBL21153162 0.77 MME (0.45) MMEALDH1A1MEN1KMT2ALMNA

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 SPHK1 1314/4885MME 4409/4885TGFBR1 1514/4885

“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.