SCHEMBL3898159

SCHEMBL3898159

CC(C)(C)OC(=O)NCCCC[C@](N)(C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.50
▸ SYK P43405 1/20 0.48
▸ IDO1 P14902 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ HTT P42858 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ KLK7 P49862 2/20 0.45
▸ KLK5 Q9Y337 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ TGM2 P21980 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.44
▸ KEAP1 Q14145 1/20 0.43
▸ NFE2L2 Q16236 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL31300270 0.95 MAPT (0.52) MAPTSYKIDO1L3MBTL1HTT
SCHEMBL12076369 0.91 MAPT (0.52) MAPTSYKL3MBTL1HTTKLK7
SCHEMBL6511442 0.91 MAPT (0.52) MAPTSYKL3MBTL1HTTKLK7
SCHEMBL16915249 0.88 IDO1 (0.49) MAPTSYKIDO1L3MBTL1HTT
SCHEMBL29931085 0.86 HTT (0.54) MAPTSYKL3MBTL1HTTKLK7
SCHEMBL7485765 0.85 SYK (0.53) MAPTSYKIDO1HTTMEN1
SCHEMBL27630879 0.85 HTT (0.45) HTTTGM2KMT2AKEAP1NFE2L2
SCHEMBL27387568 0.83 SIGMAR1 (0.48) MAPTSYKIDO1L3MBTL1HTT
SCHEMBL13480435 0.83 MAPT (0.65) MAPTSYKIDO1L3MBTL1HTT
SCHEMBL16271974 0.83 MAPT (0.51) MAPTSYKIDO1L3MBTL1HTT

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
EP-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 — — EP disclosed
US-20060166894-A1 Ace-inhibitors having antioxidant and no-donor activity YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2006-07-27 — — 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-20060166894-A1 Ace-inhibitors having antioxidant and no-donor activity ACE, ACE2, AGT MAPT 3151/4885SYK 2771/4885IDO1 626/4885

“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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