SCHEMBL22600649

SCHEMBL22600649

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 3/20 0.35
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 3/20 0.32
CNR2 P34972 1/20 0.32
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 3/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
MAPT P10636 1/20 0.31
ELANE P08246 4/20 0.31
TRPA1 O75762 1/20 0.30
LMNA P02545 3/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL24263338 1.00 L3MBTL1 (0.37) L3MBTL1GAANPSR1POLBCNR2
SCHEMBL684795 0.84 L3MBTL1 (0.35) L3MBTL1GAANPSR1POLBCNR2
SCHEMBL684475 0.84 L3MBTL1 (0.35) L3MBTL1GAANPSR1POLBCNR2
SCHEMBL12462689 0.82 NPSR1 (0.34) L3MBTL1GAANPSR1POLBCNR2
SCHEMBL9341542 0.82 ALDH1A1 (0.43) GAANPSR1POLBMAPK1ALDH1A1
SCHEMBL24850751 0.82 ADAM17 (0.36) GAAPOLBALDH1A1HPGDKDM4E
SCHEMBL12965977 0.82 NPSR1 (0.34) L3MBTL1GAANPSR1POLBCNR2
SCHEMBL9805189 0.82 ALDH1A1 (0.43) GAANPSR1POLBMAPK1ALDH1A1
SCHEMBL18462937 0.80 CTSS (0.33) L3MBTL1POLBALDH1A1CTSSCTSK
SCHEMBL24100714 0.80 HPGDS (0.36) L3MBTL1GAANPSR1POLBCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220062273-A1 CONJUGATES OF PATTERN RECOGNITION RECEPTOR AGONISTS Ascendis Pharma Oncology Division A/S (DK) 2022-03-03 US disclosed
US-20220054477-A1 INDUCTION OF SUSTAINED LOCAL INFLAMMATION Ascendis Pharma Oncology Division A/S (DK) 2022-02-24 US disclosed
US-11253502-B2 Tie-2 activators targeting the Schlemm's canal EyePoint Pharmaceuticals, Inc. (US) 2022-02-22 US disclosed
US-20200338048-A1 TIE-2 ACTIVATORS TARGETING THE SCHLEMM'S CANAL EyePoint, Inc. 2020-10-29 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 (4 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-11253502-B2 Tie-2 activators targeting the Schlemm's canal TIE1, TEK, TGFB2 L3MBTL1 4141/4885GAA 4707/4885NPSR1 2856/4885
US-20220054477-A1 INDUCTION OF SUSTAINED LOCAL INFLAMMATION GRPR, TLR3, TLR1 L3MBTL1 4794/4885GAA 3315/4885NPSR1 37/4885
US-20220062273-A1 CONJUGATES OF PATTERN RECOGNITION RECEPTOR AGONISTS LPAR1, TACR1, ADGRF1 L3MBTL1 2200/4885GAA 1609/4885NPSR1 23/4885
US-20200338048-A1 TIE-2 ACTIVATORS TARGETING THE SCHLEMM'S CANAL TIE1, TEK, TGFB2 L3MBTL1 4141/4885GAA 4707/4885NPSR1 2856/4885

“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.