SCHEMBL15948718

SCHEMBL15948718

CC(=O)OC1[C@@H](OC(C)=O)O[C@H]2OC(C)(C)O[C@@H]12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.39
CA1 P00915 2/20 0.39
CA9 Q16790 2/20 0.39
OGA O60502 1/20 0.39
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
THPO P40225 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.33
MAPT P10636 1/20 0.33
GLB1 P16278 1/20 0.33
MMP1 P03956 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
ADAM17 P78536 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
SCHEMBL21418889 1.00 CA2 (0.39) CA2CA1CA9OGALMNA
SCHEMBL13498248 0.83 CA2 (0.42) CA2CA1CA9LMNACYP1A2
SCHEMBL17972412 0.83 CA2 (0.36) CA2CA1CA9ALDH1A1HPGD
SCHEMBL13129980 0.82 CA2 (0.41) CA2CA1CA9LMNACYP1A2
SCHEMBL13129913 0.82 CA2 (0.41) CA2CA1CA9LMNACYP1A2
SCHEMBL15975397 0.82 CA2 (0.38) CA2CA1CA9LMNACYP1A2
SCHEMBL20419296 0.80 CA2 (0.36) CA2CA1CA9LMNACYP1A2
SCHEMBL17976917 0.80 CA2 (0.40) CA2CA1CA9LMNACYP1A2
SCHEMBL12148917 0.80 CA2 (0.40) CA2CA1CA9LMNACYP1A2
SCHEMBL12150836 0.80 CA2 (0.40) CA2CA1CA9LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160220595-A1 NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO DEFENSE THREAT REDUCTION AGENCY, US DOD 2016-08-04 US disclosed
WO-2015038596-A1 NUCLEOTIDE AND NUCLEOSIDE COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2015-03-19 WO disclosed
WO-2014124430-A1 NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2014-08-14 WO 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-20160220595-A1 NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO PNP, NTPCR, TYMP CA2 4570/4885CA1 4761/4885CA9 3790/4885

“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.