Sugi Predict

Sugi Predict / Compounds / SCHEMBL3324879

SCHEMBL3324879

SCHEMBL3324879

CC(C)(O)C(C)(C)O.Nc1ccccc1B(O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.39
▸ ALOX15 P16050 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TSHR P16473 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ ORAI1 Q96D31 1/20 0.33
▸ ORAI2 Q96SN7 1/20 0.33
▸ ORAI3 Q9BRQ5 1/20 0.33
▸ LIPG Q9Y5X9 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ GAA P10253 2/20 0.32
▸ LIPE Q05469 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL56105 0.89 CYP3A4 (0.47) ENPP2ALOX15CYP3A4CASP1CASP7
SCHEMBL29780861 0.89 CYP3A4 (0.47) ENPP2ALOX15CYP3A4CASP1CASP7
Water SCHEMBL4437578 0.86 CYP3A4 (0.45) ENPP2ALOX15CYP3A4CASP1CASP7
Hydrochloric Acid SCHEMBL29955380 0.86 CYP3A4 (0.46) ENPP2ALOX15CYP3A4CASP1CASP7
Hydrochloric Acid SCHEMBL731024 0.86 CYP3A4 (0.46) ENPP2ALOX15CYP3A4CASP1CASP7
Alcohol SCHEMBL29246863 0.80 ENPP2 (0.45) ENPP2ALOX15CYP3A4CASP1CASP7
Sulfuric Acid SCHEMBL17580241 0.78 GAA (0.41) ENPP2ALOX15CYP3A4CASP1CASP7
SCHEMBL840950 0.77 ENPP2 (0.32) ENPP2ALOX15CYP3A4CASP1CASP7
Bicarbonate SCHEMBL28659065 0.77 ALDH1A1 (0.38) ENPP2ALOX15CYP3A4CASP1CASP7
SCHEMBL9811292 0.77 MEN1 (0.39) ENPP2ALOX15CYP3A4CASP1CASP7

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
CN-110818675-A Organic compound and application thereof 烟台显华化工科技有限公司 2020-02-21 — — CN disclosed
US-9371337-B2 β-lactamase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-06-21 — — US disclosed
US-20140315861-A1 BETA-LACTAMASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-10-23 — — US disclosed
WO-2013056163-A1 BETA-LACTAMASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-04-18 — — WO disclosed
US-20100120810-A1 COMPOUNDS AND METHODS FOR MODULATING RHO GTPASES EXONHIT THERAPEUTICS SA (FR) 2010-05-13 — — 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 (2 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-20100120810-A1 COMPOUNDS AND METHODS FOR MODULATING RHO GTPASES RAC1, RAC2, RAC3 ENPP2 421/4885ALOX15 2933/4885CYP3A4 4571/4885
US-20140315861-A1 BETA-LACTAMASE INHIBITORS BTD, GUSB, BLVRB ENPP2 3029/4885ALOX15 2309/4885CYP3A4 696/4885

“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.