SCHEMBL20021564

SCHEMBL20021564

CCC(=O)CNC(=O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
PREP P48147 1/20 0.37
FAP Q12884 1/20 0.37
POLB P06746 1/20 0.35
HDAC6 Q9UBN7 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL607515 0.79
SCHEMBL25140014 0.79 HDAC6 (0.37) PREPFAPPOLBHDAC6L3MBTL1
SCHEMBL686083 0.77 POLB (0.41) TDP1POLBHDAC6L3MBTL1CA1
SCHEMBL684235 0.75 PREP (0.39) PREPFAPPOLBHDAC6L3MBTL1
SCHEMBL1650978 0.75 EGLN1 (0.44) TDP1PREPFAPPOLBHDAC6
SCHEMBL15540904 0.75 HDAC6 (0.40) PREPFAPPOLBHDAC6L3MBTL1
SCHEMBL10016064 0.75 PREP (0.39) TDP1PREPFAPPOLBHDAC6
SCHEMBL10220621 0.74 POLB (0.46) TDP1POLBCA2CA7CA14
SCHEMBL1346149 0.74
SCHEMBL5544499 0.73 MAOA (0.38) TDP1PREPFAPPOLBHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180092883-A1 PHOSPHATASE INHIBITORS FOR TREATING OCULAR DISEASES EyePoint Pharmaceuticals, Inc. 2018-04-05 US disclosed
US-9598432-B2 2,4-pyrimidinediamine compounds and uses as anti-proliferative agents RIGEL PHARMACEUTICALS, INC. (US) 2017-03-21 US disclosed
US-20150011002-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents RIGEL PHARMACEUTICALS, INC. (US) 2015-01-08 US disclosed
US-8809341-B2 2,4-pyrimidinediamine compounds and uses as anti-proliferative agents RIGEL PHARMACEUTICALS, INC. (US) 2014-08-19 US disclosed
US-20110190271-A1 2,4-Pyrimidinediamine Compounds and Uses as Anti-Proliferative Agents RIGEL PHARMACEUTICALS, INC. (US) 2011-08-04 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-20110190271-A1 2,4-Pyrimidinediamine Compounds and Uses as Anti-Proliferative Agents MKI67, TYMP, PCNA TDP1 292/4885PREP 2329/4885FAP 1795/4885
US-20150011002-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents MKI67, TYMP, PCNA TDP1 292/4885PREP 2329/4885FAP 1795/4885
US-20180092883-A1 PHOSPHATASE INHIBITORS FOR TREATING OCULAR DISEASES PPM1G, PPM1F, PPM1A TDP1 636/4885PREP 489/4885FAP 186/4885

“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.