SCHEMBL13997378

SCHEMBL13997378

CC1(C)O[C@H]([C@@H]2OC(C)(C)O[C@H]2C(=O)Cl)[C@@H](C(=O)Cl)O1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.38
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 1/20 0.34
GAA P10253 2/20 0.31
MGAM O43451 1/20 0.31
CA1 P00915 1/20 0.31
SI P14410 1/20 0.31
ACHE P22303 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
PGD P52209 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
SCHEMBL13997299 1.00 CA2 (0.38) CA2MAPK1NPSR1MAPTGAA
SCHEMBL13997315 1.00 CA2 (0.38) CA2MAPK1NPSR1MAPTGAA
SCHEMBL8895562 0.87 MAPK1 (0.41) CA2MAPK1NPSR1GAAPGD
SCHEMBL5795974 0.79 MAPK1 (0.36) MAPK1NPSR1GAAPGD
SCHEMBL4411311 0.79 MAPK1 (0.36) MAPK1NPSR1GAAPGD
SCHEMBL15514446 0.78 SUCNR1 (0.39) CA2MAPK1NPSR1MAPTGAA
SCHEMBL13997318 0.78 SUCNR1 (0.39) CA2MAPK1NPSR1MAPTGAA
SCHEMBL5048000 0.78 SUCNR1 (0.39) CA2MAPK1NPSR1MAPTGAA
SCHEMBL14007051 0.78 SUCNR1 (0.39) CA2MAPK1NPSR1MAPTGAA
SCHEMBL29373888 0.76 GAA (0.50) CA2MAPK1NPSR1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9289500-B2 Saccharide-peptide hydrogels THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-03-22 US disclosed
US-9238697-B2 Polymeric materials and methods THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-01-19 US disclosed
US-9238697-B2 Polymeric materials and methods THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-01-19 US disclosed
US-20140242123-A1 SACCHARIDE-PEPTIDE HYDROGELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2014-08-28 US disclosed
US-20080317861-A1 Polymeric Materials and Methods THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-12-25 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-20080317861-A1 Polymeric Materials and Methods CD44, IAPP, CA14 CA2 814/4885MAPK1 3355/4885NPSR1 1373/4885
US-20140242123-A1 SACCHARIDE-PEPTIDE HYDROGELS IAPP, CD44, HPSE CA2 2579/4885MAPK1 2157/4885NPSR1 192/4885

“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.