SCHEMBL17898502

SCHEMBL17898502

CC(C)(C)C(=O)N1CC(=O)CC1=O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.32
RIPK1 Q13546 1/20 0.32
MEN1 O00255 1/20 0.32
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL17898504 0.79 TP53 (0.35) KMT2ARIPK1MEN1
SCHEMBL27345694 0.77 NOTUM (0.38)
SCHEMBL17898509 0.77
SCHEMBL3738925 0.74 CHRM2 (0.40) HDAC6
SCHEMBL15782147 0.72 KDM4E (0.40)
SCHEMBL12015352 0.71 ITGB1 (0.39) KMT2ARIPK1MEN1HDAC8HDAC6
SCHEMBL17902632 0.71
SCHEMBL8319622 0.70 KMT2A (0.32) KMT2AMEN1
SCHEMBL14748552 0.69 RIPK1 (0.36) KMT2ARIPK1
SCHEMBL20169535 0.68 PKM (0.37) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9977024-B2 Targeted covalent probes and inhibitors of proteins containing redox-sensitive cysteines THE SCRIPPS RESEARCH INSTITUTE (US) 2018-05-22 US disclosed
US-9977024-B2 Targeted covalent probes and inhibitors of proteins containing redox-sensitive cysteines THE SCRIPPS RESEARCH INSTITUTE (US) 2018-05-22 US disclosed
US-20160195532-A1 Targeted Covalent Probes and Inhibitors of Proteins Containing Redox-Sensitive Cysteines THE SCRIPPS RESEARCH INSTITUTE 2016-07-07 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-20160195532-A1 Targeted Covalent Probes and Inhibitors of Proteins Containing Redox-Sensitive Cysteines PTMS, RSU1, QSOX1 KMT2A 3014/4885RIPK1 505/4885MEN1 4819/4885

“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.