SCHEMBL20997017

SCHEMBL20997017

C=C(O)CC(C(=O)NC(C)(C)C)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
HDAC2 Q92769 1/20 0.35
MMP2 P08253 4/20 0.34
MMP3 P08254 2/20 0.34
POLB P06746 1/20 0.31
TET2 Q6N021 1/20 0.31
ECE1 P42892 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
SCHEMBL18272869 0.84 MAPT (0.41) MAPTHDAC2MMP2MMP3ECE1
SCHEMBL25634004 0.84 MAPT (0.41) MAPTHDAC2MMP2MMP3ECE1
SCHEMBL19776046 0.84 MAPT (0.41) MAPTHDAC2MMP2MMP3ECE1
SCHEMBL20349752 0.80 ALDH1A1 (0.36) MAPTHDAC2MMP2MMP3POLB
SCHEMBL12040121 0.75 CA1 (0.42) HDAC2MMP2MMP3POLB
SCHEMBL12040054 0.75 CA1 (0.42) HDAC2MMP2MMP3POLB
SCHEMBL13186075 0.74 POLB (0.33) HDAC2MMP2MMP3POLB
SCHEMBL8277450 0.74 MAPT (0.46) MAPTHDAC2MMP2POLB
SCHEMBL13385188 0.74 MAPT (0.46) MAPTHDAC2MMP2POLB
SCHEMBL13435004 0.73 MMP1 (0.35) HDAC2MMP2MMP3POLB

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-20190144504-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2019-05-16 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-20190144504-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE RNGTT, RNASE1, RNMT MAPT 3296/4885HDAC2 3446/4885MMP2 530/4885

“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.