Sugi Predict

Sugi Predict / Compounds / SCHEMBL5019530

SCHEMBL5019530

SCHEMBL5019530

CCCCOc1ccc(F)c(C=O)c1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ FABP4 P15090 6/20 0.33
▸ FABP5 Q01469 6/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ PLA2G2D Q9UNK4 1/20 0.33
▸ SLC2A1 P11166 1/20 0.33
▸ S1PR3 Q99500 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
SCHEMBL5029726 0.95 GAA (0.40) GAATDP1L3MBTL1CYP3A4CYP2C9
SCHEMBL453962 0.88 HTT (0.37) CYP3A4CYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL453452 0.82 AR (0.37) L3MBTL1MAPT
SCHEMBL878717 0.77 L3MBTL1 (0.52) GAATDP1L3MBTL1CYP3A4CYP2C9
SCHEMBL5019525 0.74 GAA (0.50) GAATDP1L3MBTL1CYP3A4CYP2C9
SCHEMBL14537762 0.73 PPARD (0.43) S1PR3
SCHEMBL14537789 0.73 GAA (0.34) GAATDP1L3MBTL1SLC2A1
SCHEMBL469424 0.72 ERN1 (0.33) GAATDP1L3MBTL1KDM4EALDH1A1
SCHEMBL16451179 0.72 GAA (0.45) GAATDP1L3MBTL1CYP3A4CYP2C9
SCHEMBL15325956 0.72 GAA (0.40) GAATDP1L3MBTL1CYP3A4CYP2C9

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-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-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 (3 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-20120115813-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX GAA 408/4885TDP1 2952/4885L3MBTL1 333/4885
US-20170355719-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX GAA 408/4885TDP1 2952/4885L3MBTL1 333/4885
US-20140315860-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX GAA 408/4885TDP1 2952/4885L3MBTL1 333/4885

“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.