SCHEMBL3206228

SCHEMBL3206228

CC(C)(C)OC(=O)NN(CCC(=O)c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.51
KMT2A Q03164 2/20 0.48
JAK3 P52333 1/20 0.42
BTK Q06187 1/20 0.42
CTSS P25774 4/20 0.41
CTSL P07711 2/20 0.41
CTSB P07858 2/20 0.41
CTSK P43235 2/20 0.40
PPARG P37231 3/20 0.40
PPARA Q07869 3/20 0.40
PPARD Q03181 2/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ATM Q13315 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
SCHEMBL14861836 0.81 AKT1 (0.53) AKT1KMT2ACTSSCTSLCTSB
SCHEMBL21848475 0.79 KMT2A (0.58) KMT2AHDAC3HDAC1HDAC2L3MBTL1
SCHEMBL23413269 0.77 AKT1 (0.40) AKT1KMT2ACTSSCTSLCTSB
SCHEMBL14858226 0.77 AKT1 (0.49) AKT1KMT2ACTSSCTSLCTSB
SCHEMBL3216487 0.77 KMT2A (0.51) KMT2AJAK3BTKHDAC3HDAC1
SCHEMBL3089829 0.75 L3MBTL1 (0.50) KMT2AHDAC3HDAC1HDAC2L3MBTL1
SCHEMBL942893 0.75 IDO1 (0.51) KMT2AJAK3BTKL3MBTL1LMNA
SCHEMBL25274670 0.74 AKT1 (0.52) AKT1CTSSCTSLCTSBPPARA
SCHEMBL31031058 0.74 AKT1 (0.49) AKT1CTSSCTSLCTSBPPARA
SCHEMBL31452028 0.74 AKT1 (0.42) AKT1KMT2ACTSSCTSLCTSB

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
US-8324257-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-12-04 US disclosed
US-20100041719-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2010-02-18 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-20100041719-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF KIF5B, KIF2C, KIF18B AKT1 2773/4885KMT2A 459/4885JAK3 3083/4885

“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.