Sugi Predict

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SCHEMBL866009

SCHEMBL866009

CC1(C)O[C@@H]2[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)OC(O)[C@@H]2O1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ CYP3A4 P08684 4/20 0.37
▸ SMYD2 Q9NRG4 3/20 0.35
▸ MAPK1 P28482 2/20 0.33
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ GLB1 P16278 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ NPSR1 Q6W5P4 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
SCHEMBL12803239 1.00 ALDH1A1 (0.42) ALDH1A1CYP3A4SMYD2MAPK1HPGD
SCHEMBL12277057 1.00 ALDH1A1 (0.42) ALDH1A1CYP3A4SMYD2MAPK1HPGD
SCHEMBL12936593 1.00 ALDH1A1 (0.42) ALDH1A1CYP3A4SMYD2MAPK1HPGD
SCHEMBL16707269 1.00 ALDH1A1 (0.42) ALDH1A1CYP3A4SMYD2MAPK1HPGD
SCHEMBL19464883 1.00 ALDH1A1 (0.42) ALDH1A1CYP3A4SMYD2MAPK1HPGD
SCHEMBL4309745 1.00 ALDH1A1 (0.42) ALDH1A1CYP3A4SMYD2MAPK1HPGD
SCHEMBL17705851 0.89 ALDH1A1 (0.35) ALDH1A1CYP3A4SMYD2
SCHEMBL2587892 0.87 SMYD2 (0.35) ALDH1A1CYP3A4SMYD2HTTSMN1; SMN2
SCHEMBL31726850 0.86 ALDH1A1 (0.39) ALDH1A1CYP3A4SMYD2HPGD
SCHEMBL8860952 0.85 ALDH1A1 (0.40) ALDH1A1CYP3A4SMYD2MAPK1HTT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114025771-A Glycerol-mannose-heptose ADP derivatives for modulating immune response 上海药苑生物科技有限公司 2022-02-08 — — CN disclosed
US-9512426-B2 Method for rapidly evaluating performance of short interfering RNA with novel chemical modifications SIRNA THERAPEUTICS, INC. (US) 2016-12-06 — — US disclosed
US-20150132761-A1 METHOD FOR RAPIDLY EVALUATING PERFORMANCE OF SHORT INTERFERING RNA WITH NOVEL CHEMICAL MODIFICATIONS BANK OF AMERICA, N.A. 2015-05-14 — — US disclosed
US-8877439-B2 Method for rapidly evaluating performance of short interfering RNA with novel chemical modifications SIRNA THERAPEUTICS, INC. (US) 2014-11-04 — — US disclosed
US-20120077814-A1 SULFONAMIDE, SULFAMATE, AND SULFAMOTHIOATE DERIVATIVES WANG ZHONG (US) 2012-03-29 — — US disclosed
US-20120077814-A1 SULFONAMIDE, SULFAMATE, AND SULFAMOTHIOATE DERIVATIVES WANG ZHONG (US) 2012-03-29 — — US disclosed
WO-2003102007-A1 PROCESS FOR SYNTHESISING C-GLYCOSIDES THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2003-12-11 — — 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-20120077814-A1 SULFONAMIDE, SULFAMATE, AND SULFAMOTHIOATE DERIVATIVES NEDD8, NAE1, UBA3 ALDH1A1 398/4885CYP3A4 2117/4885SMYD2 746/4885

“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.