SCHEMBL1233159

SCHEMBL1233159

O=C(O)CCc1ccc2c(c1)COB2O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.50
CA2 P00918 7/20 0.50
PDE3A Q14432 2/20 0.50
PDE4A P27815 8/20 0.49
PDE4B Q07343 8/20 0.49
PDE4C Q08493 8/20 0.49
PDE4D Q08499 8/20 0.49
CA12 O43570 5/20 0.47
CA9 Q16790 5/20 0.47
CA4 P22748 4/20 0.47
KLK5 Q9Y337 1/20 0.43
FFAR1 O14842 1/20 0.41
CHRM1 P11229 1/20 0.40
ADRA1A P35348 1/20 0.40
PDE1A P54750 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE7A Q13946 1/20 0.40

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
SCHEMBL1233210 0.88 CA12 (0.57) CA1CA2CA12CA9CA4
SCHEMBL12383367 0.85 CA1 (0.53) CA1CA2PDE3APDE4APDE4B
SCHEMBL24478342 0.80 CA1 (0.54) CA1CA2PDE3APDE4APDE4B
SCHEMBL15981495 0.80 CA1 (0.54) CA1CA2PDE3APDE4APDE4B
SCHEMBL1233465 0.80 CA12 (0.55) CA1CA2CA12CA9CA4
SCHEMBL5583511 0.78 CA1 (0.59) CA1CA2PDE3APDE4APDE4B
SCHEMBL500368 0.78 CA1 (0.59) CA1CA2PDE3APDE4APDE4B
SCHEMBL19605426 0.78 CA1 (0.51) CA1CA2PDE3APDE4APDE4B
SCHEMBL15985528 0.77 CA1 (0.50) CA1CA2PDE3APDE4APDE4B
SCHEMBL12383669 0.77 CA1 (0.55) CA1CA2CA12CA9CA4

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
US-20110207701-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2011-08-25 US disclosed
US-20110207701-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2011-08-25 US disclosed
WO-2011022337-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2011-02-24 WO disclosed
WO-2011022337-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2011-02-24 WO 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-20110207701-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP CA1 3017/4885CA2 321/4885PDE3A 2735/4885

“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.