SCHEMBL1232020

SCHEMBL1232020

CC(=O)OCc1cc(C#N)ccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.35
ALOX15 P16050 1/20 0.35
KDM4E B2RXH2 1/20 0.34
TDP2 O95551 2/20 0.34
PDE4B Q07343 1/20 0.33
SETDB1 Q15047 1/20 0.33
ABCB1 P08183 6/20 0.32
PTGER4 P35408 1/20 0.32
AR P10275 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
ABCC9 O60706 1/20 0.32
CXCR2 P25025 1/20 0.32
KDM4C Q9H3R0 1/20 0.31

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
SCHEMBL1233222 0.90 CYP3A4 (0.35) CYP3A4ALOX15KDM4ETDP2ABCB1
SCHEMBL16586412 0.89 MAPT (0.36) CYP3A4ALOX15PTGER4ALDH1A1MAPT
SCHEMBL20568239 0.89 PDE4B (0.43) KDM4ETDP2PDE4BPTGER4ALDH1A1
SCHEMBL2177649 0.87 KMT2A (0.34) CYP3A4ALOX15KDM4EPTGER4ALDH1A1
SCHEMBL16110105 0.83 TDP2 (0.33) ALOX15KDM4ETDP2PDE4BALDH1A1
SCHEMBL16472183 0.82 EGLN2 (0.37) CYP3A4TDP2ABCC9CXCR2
SCHEMBL2178893 0.81 ABCB1 (0.34) ABCB1
SCHEMBL19513344 0.81 CXCR2 (0.45) CYP3A4ALDH1A1MAPTCXCR2
SCHEMBL30881186 0.81 CXCR2 (0.45) CYP3A4ALDH1A1MAPTCXCR2
SCHEMBL12383682 0.78 CYP3A4 (0.34) CYP3A4KDM4EALDH1A1CXCR2

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 CYP3A4 3967/4885ALOX15 3432/4885KDM4E 3726/4885

“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.