SCHEMBL1889418

SCHEMBL1889418

CC(C)(C)OC(=O)NCC1OB(O)c2c(OCCCBr)cccc21

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RPS6KA1 Q15418 1/20 0.37
EPHX2 P34913 1/20 0.36
CA12 O43570 5/20 0.34
CA1 P00915 5/20 0.34
CA2 P00918 5/20 0.34
CA9 Q16790 5/20 0.34
SCN9A Q15858 1/20 0.34
APLNR P35414 1/20 0.33

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
SCHEMBL12665663 1.00 RPS6KA1 (0.37) RPS6KA1EPHX2CA12CA1CA2
SCHEMBL3446339 0.91 EPHX2 (0.38) RPS6KA1EPHX2CA12CA1CA2
SCHEMBL12665665 0.91 EPHX2 (0.38) RPS6KA1EPHX2CA12CA1CA2
SCHEMBL12831586 0.90 RPS6KA1 (0.37) RPS6KA1EPHX2CA12CA1CA2
SCHEMBL3445550 0.90 CA12 (0.44) RPS6KA1CA12CA1CA2CA9
SCHEMBL12674063 0.89 CA12 (0.38) RPS6KA1EPHX2CA12CA1CA2
SCHEMBL3447009 0.89 MTNR1A (0.41) RPS6KA1EPHX2CA12CA1CA2
SCHEMBL469558 0.88 LARS1 (0.39) RPS6KA1EPHX2
SCHEMBL469384 0.88 LARS1 (0.39) RPS6KA1EPHX2
SCHEMBL13035561 0.88 RPS6KA1 (0.39) RPS6KA1EPHX2CA12CA1CA2

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-20110124597-A1 BORON CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-05-26 US disclosed
US-20110124597-A1 BORON CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-05-26 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-20110124597-A1 BORON CONTAINING SMALL MOLECULES BCL6B, BCL6, BLVRB RPS6KA1 2735/4885EPHX2 4556/4885CA12 945/4885

“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.