SCHEMBL3498752

SCHEMBL3498752

COC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
KLK7 P49862 2/20 0.52
KLK5 Q9Y337 2/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.51
SIRT1 Q96EB6 1/20 0.51
SIRT3 Q9NTG7 1/20 0.51
POLB P06746 1/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
RECQL P46063 1/20 0.49
PAX8 Q06710 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
FOLH1 Q04609 2/20 0.49
SYK P43405 1/20 0.49
ABCB1 P08183 1/20 0.49

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
SCHEMBL30043940 0.88 SIRT2 (0.64) MAPTKLK7KLK5CA1CA2
SCHEMBL13430768 0.88 SIRT2 (0.64) MAPTKLK7KLK5CA1CA2
SCHEMBL8091300 0.87 MAPT (0.61) MAPTKLK7KLK5CA1CA2
SCHEMBL8083532 0.87 MAPT (0.61) MAPTKLK7KLK5CA1CA2
SCHEMBL25540903 0.86 KLK7 (0.67) MAPTKLK7KLK5CA1CA2
SCHEMBL2329138 0.86 KLK7 (0.67) MAPTKLK7KLK5CA1CA2
SCHEMBL2329143 0.86 KLK7 (0.67) MAPTKLK7KLK5CA1CA2
SCHEMBL30689133 0.86 MAPT (0.58) MAPTKLK7KLK5POLBMAPK1
SCHEMBL7549143 0.86 KLK7 (0.64) MAPTKLK7KLK5POLBMAPK1
SCHEMBL22355258 0.85 MAPT (0.54) MAPTKLK7KLK5CA1CA2

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-20100104585-A1 Methods and Reagents for Regulation of Cellular Responses in Biological Systems WISCONSIN ALUMNI RESEARCH FOUNDATION 2010-04-29 US disclosed
US-20040248801-A1 Methods and reagents for regulation of cellular responses in biological systems NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-12-09 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 (2 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-20040248801-A1 Methods and reagents for regulation of cellular responses in biological systems HAVCR2, CASR, SRPRA MAPT 3752/4885KLK7 2952/4885KLK5 3592/4885
US-20100104585-A1 Methods and Reagents for Regulation of Cellular Responses in Biological Systems HAVCR2, CD4, CX3CR1 MAPT 3011/4885KLK7 2055/4885KLK5 2943/4885

“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.