SCHEMBL21117488

SCHEMBL21117488

CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)N(C)C(=O)[C@H](C)N

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL13374875 0.90 CYP2D6 (0.33) CYP2D6
SCHEMBL25721685 0.90 CYP2D6 (0.33) CYP2D6
SCHEMBL17337592 0.90 CYP2D6 (0.33) CYP2D6
SCHEMBL17337593 0.90 CYP2D6 (0.33) CYP2D6
SCHEMBL14962705 0.90 CYP2D6 (0.33) CYP2D6
SCHEMBL18289855 0.90 CYP2D6 (0.33) CYP2D6
SCHEMBL21708027 0.90 CYP2D6 (0.33) CYP2D6
SCHEMBL21708028 0.90 CYP2D6 (0.33) CYP2D6
SCHEMBL31032956 0.90 DPP4 (0.38) CYP2D6
SCHEMBL12284901 0.88 CYP2D6 (0.34) CYP2D6HDAC3HDAC1HDAC2HDAC8

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-20190194315-A1 ANTIBODY DRUG CONJUGATES NOVARTIS AG (CH) 2019-06-27 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-20190194315-A1 ANTIBODY DRUG CONJUGATES EPCAM, CDH1, VIM CYP2D6 3446/4885HDAC3 2004/4885HDAC1 2319/4885

“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.