SCHEMBL20313909

SCHEMBL20313909

CCCC(NC(=O)OC(C)(C)C)C(C)C(C(=O)OCC)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA7 P43166 1/20 0.48
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ CTSK P43235 10/20 0.43
▸ CTSS P25774 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL20296935 0.88 CA1 (0.44) CA1CA2CA7CYP1A2CYP2C9
SCHEMBL20313908 0.88 CA1 (0.44) CA1CA2CA7CYP1A2CYP2C9
SCHEMBL18297068 0.87 CA1 (0.43) CA1CA2CA7CYP1A2CYP2C9
SCHEMBL18297069 0.87 CTSK (0.45) CA1CA2CA7CYP1A2CYP2C9
SCHEMBL18297052 0.84 CTSK (0.44) CA1CA2CA7CYP1A2CYP2C9
SCHEMBL6373993 0.82 CYP1A2 (0.47) CA1CA2CA7CYP1A2CYP2C9
SCHEMBL6842368 0.80 CYP1A2 (0.50) CA1CA2CA7CYP1A2CYP2C9
SCHEMBL13934941 0.80 CA1 (0.67) CA1CA2CA7CTSKCTSS
SCHEMBL13934324 0.80 CA1 (0.67) CA1CA2CA7CTSKCTSS
SCHEMBL23016026 0.79 CA1 (0.56) CA1CA2CA7CTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180179248-A1 DECARBOXYLATIVE CONJUGATE ADDITIONS AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2018-06-28 — — 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-20180179248-A1 DECARBOXYLATIVE CONJUGATE ADDITIONS AND APPLICATIONS THEREOF PTMS, DNPEP, QPCT CA1 598/4885CA2 2519/4885CA7 1633/4885

“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.

Send feedback