Sugi Predict

Sugi Predict / Compounds / SCHEMBL16157239

SCHEMBL16157239

SCHEMBL16157239

CCOC(=O)C[C@@H](CC)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.36
▸ MGAM O43451 1/20 0.36
▸ SI P14410 1/20 0.36
▸ MGAM2 Q2M2H8 1/20 0.36
▸ ALDH1A1 P00352 6/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ CYP3A4 P08684 2/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ HTT P42858 1/20 0.30

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
SCHEMBL7595924 0.93 GAA (0.39) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL5156414 0.89 GAA (0.35) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL5160031 0.89 GAA (0.35) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL5156408 0.89 GAA (0.35) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2169715 0.89 GAA (0.35) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2169713 0.89 GAA (0.35) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28485140 0.87 MGAM (0.34) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL31648581 0.87 MGAM (0.34) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL15653581 0.87 MGAM (0.34) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL16668357 0.87 MGAM (0.34) GAAMGAMSIMGAM2ALDH1A1

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-9487551-B2 Small molecule compounds that control mammal-pathogenic nematodes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-11-08 — — US disclosed
US-9445596-B2 Small molecule compounds for the control of nematodes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-09-20 — — US disclosed
US-20140364386-A1 Small Molecule Compounds That Control Plant- and Insect-Pathogenic Nematodes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-12-11 — — US disclosed
US-20140303102-A1 Small Molecule Compounds that Control Mammal-Pathogenic Nematodes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-10-09 — — US disclosed
US-20140303360-A1 Small Molecule Compounds for the Control of Nematodes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-10-09 — — 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-20140303360-A1 Small Molecule Compounds for the Control of Nematodes MAVS, EMG1, PINK1 GAA 4052/4885MGAM 4326/4885SI 3672/4885
US-20140364386-A1 Small Molecule Compounds That Control Plant- and Insect-Pathogenic Nematodes HNMT, EMG1, API5 GAA 2022/4885MGAM 1696/4885SI 3201/4885
US-20140303102-A1 Small Molecule Compounds that Control Mammal-Pathogenic Nematodes EMG1, HNMT, MSN GAA 1769/4885MGAM 2012/4885SI 2168/4885

“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.