SCHEMBL20131845

SCHEMBL20131845

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

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CTSK P43235 9/20 0.43
CTSS P25774 5/20 0.43
GLS O94925 1/20 0.42
CYP2D6 P10635 1/20 0.41
GLA P06280 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CA12 O43570 1/20 0.39
CA14 Q9ULX7 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL1369240 0.92 CA1 (0.52) KMT2ACA1CA2CA7CTSK
SCHEMBL1371004 0.92 CA1 (0.52) KMT2ACA1CA2CA7CTSK
SCHEMBL1563568 0.92 CA1 (0.52) KMT2ACA1CA2CA7CTSK
SCHEMBL9980671 0.85 KMT2A (0.50) KMT2ACA1CA2CA7CTSK
SCHEMBL6891888 0.85 KMT2A (0.50) KMT2ACA1CA2CA7CTSK
SCHEMBL30471514 0.85 KMT2A (0.50) KMT2ACA1CA2CA7CTSK
SCHEMBL7439787 0.85 KMT2A (0.50) KMT2ACA1CA2CA7CTSK
SCHEMBL17664986 0.85 KMT2A (0.50) KMT2ACA1CA2CA7CTSK
SCHEMBL7057277 0.85 KMT2A (0.50) KMT2ACA1CA2CA7CTSK
SCHEMBL29918031 0.85 KMT2A (0.47) KMT2ACA1CA2CA7CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3901162-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF AbbVie Inc. (US) 2021-10-27 EP disclosed
US-20180126000-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF ABBVIE INC. (US) 2018-05-10 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-20180126000-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF NR3C1, NR3C2, MC2R KMT2A 4137/4885CA1 4613/4885CA2 4561/4885

“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.