SCHEMBL18787635

SCHEMBL18787635

CC(OCC1CCOC1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.37
SLC1A3 P43003 6/20 0.37
SLC1A2 P43004 6/20 0.37
SLC1A1 P43005 6/20 0.37
IRAK4 Q9NWZ3 2/20 0.36
GRM5 P41594 2/20 0.34
ACACB O00763 2/20 0.33
ACACA Q13085 1/20 0.33
MAPK1 P28482 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
PDE4D Q08499 1/20 0.32
PIK3CD O00329 1/20 0.32

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
SCHEMBL19812708 1.00 AOC3 (0.37) AOC3SLC1A3SLC1A2SLC1A1IRAK4
SCHEMBL18787634 1.00 AOC3 (0.37) AOC3SLC1A3SLC1A2SLC1A1IRAK4
SCHEMBL18787795 1.00 AOC3 (0.37) AOC3SLC1A3SLC1A2SLC1A1IRAK4
SCHEMBL19119024 0.80 SLC1A3 (0.53) SLC1A3SLC1A2SLC1A1PDE4D
SCHEMBL3387724 0.79 AOC3 (0.34) AOC3IRAK4GRM5ACACBACACA
SCHEMBL21429865 0.78 IRAK4 (0.35) AOC3IRAK4ACACBACACAPIK3CD
SCHEMBL12689563 0.78 IRAK4 (0.35) AOC3IRAK4ACACBACACAPIK3CD
SCHEMBL18050578 0.77 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1
SCHEMBL18787702 0.76 AOC3 (0.32) AOC3IRAK4GRM5ACACBACACA
SCHEMBL18787730 0.76 AOC3 (0.32) AOC3IRAK4GRM5ACACBACACA

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-10442808-B2 Pyrazolo pyrimidine derivatives and their use as MALT1 inhbitors NOVARTIS AG (CH) 2019-10-15 US disclosed
EP-3149001-B1 NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES AND THEIR USE AS MALT1 INHIBITORS NOVARTIS AG (CH) 2019-04-24 EP disclosed
US-20180030061-A1 NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES AND THEIR USE AS MALT1 INHBITORS NOVARTIS AG (CH) 2018-02-01 US disclosed
US-9815842-B2 Pyrazolo pyrimidine derivatives and their use as MALT1 inhibitors NOVARTIS AG (CH) 2017-11-14 US disclosed
US-20170121335-A1 NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES AND THEIR USE AS MALT1 INHBITORS NOVARTIS AG (CH) 2017-05-04 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-20180030061-A1 NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES AND THEIR USE AS MALT1 INHBITORS MMEL1, MALT1, FBP1 AOC3 2582/4885SLC1A3 3917/4885SLC1A2 4562/4885
US-20170121335-A1 NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES AND THEIR USE AS MALT1 INHBITORS MMEL1, MALT1, FBP1 AOC3 2582/4885SLC1A3 3917/4885SLC1A2 4562/4885
US-10442808-B2 Pyrazolo pyrimidine derivatives and their use as MALT1 inhbitors FBP1, MMEL1, MALT1 AOC3 2246/4885SLC1A3 4100/4885SLC1A2 4623/4885

“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.