SCHEMBL13612436

SCHEMBL13612436

CC(NC(=O)OC(C)(C)C)C(=O)NC[Cr]

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
CTSS P25774 8/20 0.48
CTSK P43235 8/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
GLS O94925 1/20 0.43
CYP2D6 P10635 1/20 0.43
ATM Q13315 1/20 0.41
CAPN1 P07384 1/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL2390418 0.84 KMT2A (0.56) KMT2ACTSSCTSKCA1CA2
SCHEMBL31517881 0.84 KMT2A (0.56) KMT2ACTSSCTSKCA1CA2
SCHEMBL3010367 0.84 KMT2A (0.56) KMT2ACTSSCTSKCA1CA2
SCHEMBL13612429 0.83 CTSK (0.68) KMT2ACTSSCTSKCA1CA2
SCHEMBL25413150 0.83 KMT2A (0.55) KMT2ACTSSCTSKCA1CA2
SCHEMBL1022916 0.83 KMT2A (0.55) KMT2ACTSSCTSKCA1CA2
SCHEMBL29918018 0.83 KMT2A (0.55) KMT2ACTSSCTSKCA1CA2
SCHEMBL25413155 0.83 KMT2A (0.55) KMT2ACTSSCTSKCA1CA2
SCHEMBL6295388 0.83 KMT2A (0.55) KMT2ACTSSCTSKCA1CA2
SCHEMBL18653900 0.83 KMT2A (0.55) KMT2ACTSSCTSKCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200121684-A1 MODULATORS OF BTK PROTEOLYSIS AND METHODS OF USE UNIV YALE (US) 2020-04-23 US disclosed
US-8993607-B2 Therapeutic compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-03-31 US disclosed
US-20120046234-A1 THERAPEUTIC COMPOUNDS NIH - DEITR 2012-02-23 US disclosed
US-20090292129-A1 PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST ABIOGEN PHARMA S.P.A. (IT) 2009-11-26 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 (3 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-20200121684-A1 MODULATORS OF BTK PROTEOLYSIS AND METHODS OF USE BTK, CBL, CRBN KMT2A 1103/4885CTSS 1227/4885CTSK 957/4885
US-20120046234-A1 THERAPEUTIC COMPOUNDS MKI67, MCL1, TP53 KMT2A 3148/4885CTSS 1323/4885CTSK 1336/4885
US-20090292129-A1 PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST SRR, EPHX2, ALOX5 KMT2A 4634/4885CTSS 3591/4885CTSK 3928/4885

“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.