SCHEMBL20349752

SCHEMBL20349752

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
EPHX1 P07099 1/20 0.33
HDAC2 Q92769 1/20 0.33
POLB P06746 1/20 0.32
MMP2 P08253 4/20 0.32
MMP3 P08254 2/20 0.32
MAPT P10636 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
SCHEMBL19776046 0.83 MAPT (0.41) HDAC2MMP2MMP3MAPT
SCHEMBL18272869 0.83 MAPT (0.41) HDAC2MMP2MMP3MAPT
SCHEMBL20997017 0.80 MAPT (0.36) HDAC2POLBMMP2MMP3MAPT
SCHEMBL12040054 0.78 CA1 (0.42) ALDH1A1EPHX1HDAC2POLBMMP2
SCHEMBL20806763 0.78 ALDH1A1 (0.44) ALDH1A1TDP1EPHX1HDAC2POLB
SCHEMBL12040121 0.78 CA1 (0.42) ALDH1A1EPHX1HDAC2POLBMMP2
SCHEMBL13186075 0.77 POLB (0.33) EPHX1HDAC2POLBMMP2MMP3
SCHEMBL24096090 0.75 ALDH1A1 (0.36) ALDH1A1TDP1EPHX1HDAC2POLB
SCHEMBL13434996 0.75 CA1 (0.45) TDP1HDAC2POLBMMP2MMP3
SCHEMBL13575213 0.75 CA1 (0.45) TDP1HDAC2POLBMMP2MMP3

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-20180185510-A1 ANTIBODY DRUG CONJUGATES OF KINESIN SPINDEL PROTEIN (KSP) INHIBITORS WITH ANTI-B7H3-ANTIBODIES Bayer Pharma AG (DE) 2018-07-05 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-20180185510-A1 ANTIBODY DRUG CONJUGATES OF KINESIN SPINDEL PROTEIN (KSP) INHIBITORS WITH ANTI-B7H3-ANTIBODIES KIF23, KIF5B, KIF2C ALDH1A1 1644/4885TDP1 3083/4885EPHX1 3514/4885

“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.