SCHEMBL4896500

SCHEMBL4896500

C[C@@H](CN(CCCCO)C(=O)OC(C)(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.47
BACE1 P56817 6/20 0.47
CCR6 P51684 1/20 0.44
PAX8 Q06710 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CTSK P43235 4/20 0.43
ATM Q13315 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
MAPT P10636 1/20 0.41
CTSL P07711 2/20 0.41
CTSB P07858 2/20 0.41
CTSS P25774 2/20 0.41

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
SCHEMBL4896495 0.97 SYK (0.48) SYKBACE1CCR6PAX8L3MBTL1
SCHEMBL1554884 0.97 SYK (0.48) SYKBACE1CCR6PAX8L3MBTL1
SCHEMBL4891550 0.93 SYK (0.50) SYKBACE1CTSKATMCTSL
SCHEMBL15316174 0.91 SYK (0.51) SYKBACE1CTSKHDAC3HDAC1
SCHEMBL15003939 0.91 SYK (0.51) SYKBACE1CTSKHDAC3HDAC1
SCHEMBL14256999 0.88 SYK (0.52) SYKBACE1CTSKATMCTSL
SCHEMBL4887136 0.86 BACE1 (0.43) SYKBACE1L3MBTL1CTSKATM
SCHEMBL14990389 0.85 BACE1 (0.46) SYKBACE1L3MBTL1CTSKATM
SCHEMBL5729333 0.85 SYK (0.51) SYKBACE1CTSKATMCTSL
SCHEMBL4890767 0.85 BACE1 (0.44) SYKBACE1L3MBTL1CTSKATM

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-20080064681-A1 Therapeutic agent for treating glaucoma D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2008-03-13 US disclosed
US-20080064681-A1 Therapeutic agent for treating glaucoma D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2008-03-13 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-20080064681-A1 Therapeutic agent for treating glaucoma PDE6G, PDE3A, PDE5A SYK 4481/4885BACE1 3546/4885CCR6 3106/4885

“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.