Sugi Predict

Sugi Predict / Compounds / SCHEMBL5019552

SCHEMBL5019552

SCHEMBL5019552

CCCCOc1cccc2c1B(O)OC2C[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ LARS1 Q9P2J5 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ CRHBP P24387 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL16706966 1.00 TP53 (0.35) TP53GAATSHRHTTLARS1
SCHEMBL16706967 1.00 TP53 (0.35) TP53GAATSHRHTTLARS1
SCHEMBL5019545 0.97 LMNA (0.36) LARS1NPSR1
SCHEMBL13074078 0.96 TP53 (0.33) TP53GAATSHRHTTLARS1
SCHEMBL13073748 0.96 TP53 (0.33) TP53GAATSHRHTTLARS1
SCHEMBL13073614 0.96 TP53 (0.33) TP53GAATSHRHTTLARS1
SCHEMBL15075004 0.95 ALDH1A1 (0.37) TP53GAATSHRHTTKDM4E
SCHEMBL15077375 0.94 HTR2C (0.35) LARS1
SCHEMBL13073689 0.93 PLA2G4B (0.32) TP53GAATSHRHTTLARS1
SCHEMBL3446400 0.90 — —

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-20170355719-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2017-12-14 — — US disclosed
US-9751898-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2017-09-05 — — US disclosed
US-20150133402-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, LLC 2015-05-14 — — US disclosed
US-20140315860-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2014-10-23 — — US disclosed
US-20120115813-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-05-10 — — 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 (4 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-20150133402-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BLVRB, BCL6 TP53 519/4885GAA 341/4885TSHR 2759/4885
US-20120115813-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX TP53 2154/4885GAA 408/4885TSHR 2857/4885
US-20170355719-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX TP53 2154/4885GAA 408/4885TSHR 2857/4885
US-20140315860-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX TP53 2154/4885GAA 408/4885TSHR 2857/4885

“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.