SCHEMBL17109641

SCHEMBL17109641

C[C@H](NO)C(=O)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.36
CA14 Q9ULX7 1/20 0.36
DGAT1 O75907 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CTSK P43235 2/20 0.32
CYP2D6 P10635 1/20 0.32
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
CTSS P25774 1/20 0.30
APLNR P35414 1/20 0.30

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
SCHEMBL30689516 0.83 CA12 (0.36) CA12CA14DGAT1CA1CA2
SCHEMBL15631746 0.79 CTSK (0.38) CA12CA14DGAT1CA1CA2
SCHEMBL10892359 0.77 CA12 (0.42) CA12CA14DGAT1CA1CA2
SCHEMBL11216968 0.77 CA12 (0.42) CA12CA14DGAT1CA1CA2
SCHEMBL3185669 0.77 CA12 (0.42) CA12CA14DGAT1CA1CA2
SCHEMBL1089194 0.77 DGAT1 (0.36) CA12CA14DGAT1CA1CA2
SCHEMBL13826663 0.75 CTSL (0.43) CA1CA2CA7CTSKMEN1
SCHEMBL12944842 0.74 TGFBR1 (0.35) DGAT1CA1CA2CA7CTSK
SCHEMBL15631724 0.74 CTSK (0.44) CA1CA2CA7CTSKMEN1
SCHEMBL29713780 0.74 CA1 (0.37) CA12CA14CA1CA2CA7

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-9453037-B2 Methylphenidate-prodrugs, processes of making and using the same KEMPHARM, INC (US) 2016-09-27 US disclosed
US-20150266911-A1 Methylphenidate-Prodrugs, Processes of Making and Using the Same COMMAVE THERAPEUTICS SA (CH) 2015-09-24 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-20150266911-A1 Methylphenidate-Prodrugs, Processes of Making and Using the Same COMT, TPMT, PNMT CA12 3562/4885CA14 2362/4885DGAT1 1258/4885

“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.