SCHEMBL18787706

SCHEMBL18787706

CC(OCC1CCOC1)C(=O)CC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.32
IRAK4 Q9NWZ3 2/20 0.31
ACACB O00763 2/20 0.31
ACACA Q13085 1/20 0.31
CCR2 P41597 1/20 0.30
GRM5 P41594 1/20 0.30
KMT2A Q03164 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 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
SCHEMBL18787702 1.00 AOC3 (0.32) AOC3IRAK4ACACBACACACCR2
SCHEMBL18787705 1.00 AOC3 (0.32) AOC3IRAK4ACACBACACACCR2
SCHEMBL18787730 1.00 AOC3 (0.32) AOC3IRAK4ACACBACACACCR2
SCHEMBL18787728 1.00 AOC3 (0.32) AOC3IRAK4ACACBACACACCR2
SCHEMBL18787741 0.79 PDE4D (0.33) ACACBCCR2
SCHEMBL18787691 0.79 PDE4D (0.33) ACACBCCR2
SCHEMBL18787742 0.79 PDE4D (0.33) ACACBCCR2
SCHEMBL18787690 0.79 PDE4D (0.33) ACACBCCR2
SCHEMBL18787689 0.79 PDE4D (0.33) ACACBCCR2
SCHEMBL18787635 0.76 AOC3 (0.37) AOC3IRAK4ACACBACACAGRM5

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 2582/4885IRAK4 1257/4885ACACB 3201/4885
US-20170121335-A1 NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES AND THEIR USE AS MALT1 INHBITORS MMEL1, MALT1, FBP1 AOC3 2582/4885IRAK4 1257/4885ACACB 3201/4885
US-10442808-B2 Pyrazolo pyrimidine derivatives and their use as MALT1 inhbitors FBP1, MMEL1, MALT1 AOC3 2246/4885IRAK4 830/4885ACACB 3354/4885

“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.