SCHEMBL2376954

SCHEMBL2376954

CC(C)(C)Oc1cccc(B(O)OC(C)(C)C(C)(C)O)c1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.40
KIF11 P52732 1/20 0.32
CYP26B1 Q9NR63 1/20 0.32
ABL1 P00519 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
SCHEMBL2300859 0.86 ENPP2 (0.57) ENPP2
SCHEMBL5149318 0.82 ENPP2 (0.38) ENPP2CYP26B1
SCHEMBL9893670 0.81 CYP3A4 (0.50) ENPP2
SCHEMBL9893607 0.81 ELANE (0.41) ENPP2CYP26B1
SCHEMBL16223353 0.80 ACHE (0.35) ENPP2CYP26B1
SCHEMBL517851 0.80 ENPP2 (0.48) ENPP2CYP26B1
SCHEMBL5151090 0.79 GGPS1 (0.41)
SCHEMBL3792924 0.79 ENPP2 (0.63) ENPP2KIF11
SCHEMBL16010449 0.78 MGLL (0.39) ENPP2CYP26B1
SCHEMBL3518819 0.78 CYP26B1 (0.46) ENPP2KIF11CYP26B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP disclosed
US-8022205-B2 Pyrimidine derivatives as PI3K inhibitor and use thereof CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-09-20 US disclosed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 US disclosed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 EP 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-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF PIK3CA, AKT3, AKT1 ENPP2 3570/4885KIF11 4229/4885CYP26B1 2093/4885

“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.