Sugi Predict

Sugi Predict / Compounds / SCHEMBL5595601

SCHEMBL5595601

SCHEMBL5595601

C/C=C(/O[Si](C)(C)C)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.35
▸ F2 P00734 2/20 0.34
▸ F10 P00742 1/20 0.34
▸ F12 P00748 1/20 0.34
▸ F7 P08709 1/20 0.34
▸ F3 P13726 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ BLM P54132 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ KMT2A Q03164 5/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ CES2 O00748 3/20 0.32
▸ CES1 P23141 3/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ PRSS1 P07477 1/20 0.32
▸ PRSS2 P07478 1/20 0.32
▸ C1S P09871 1/20 0.32
▸ PRSS3 P35030 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
SCHEMBL817341 1.00 TSHR (0.35) TSHRF2F10F12F7
SCHEMBL4442135 1.00 TSHR (0.35) TSHRF2F10F12F7
SCHEMBL23152626 0.88 SMN1; SMN2 (0.42) LMNAALDH1A1MAPK1MAPTNPC1
SCHEMBL23152625 0.88 SMN1; SMN2 (0.42) LMNAALDH1A1MAPK1MAPTNPC1
SCHEMBL14471815 0.83 CYP19A1 (0.34) TSHRF2LMNATP53KMT2A
SCHEMBL14471814 0.83 CYP19A1 (0.34) TSHRF2LMNATP53KMT2A
SCHEMBL14471831 0.83 CYP19A1 (0.34) TSHRF2LMNATP53KMT2A
SCHEMBL11412872 0.82 AKR1C1 (0.41) TSHRLMNAKMT2AALDH1A1MAPK1
SCHEMBL23152622 0.82 AKR1C1 (0.41) TSHRLMNAKMT2AALDH1A1MAPK1
SCHEMBL11412870 0.82 AKR1C1 (0.41) TSHRLMNAKMT2AALDH1A1MAPK1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0643781-B1 ELECTROCATALYTIC ASYMMETRIC DIHYDROXYLATION OF OLEFINIC COMPOUNDS SEPRACOR INC (US) 1998-06-24 — — EP claimed
US-5419817-A Osmium tetroxide catalyst; preparing hydroxycarbonyl compounds from enol ether or vinyl halide SEPRACOR INC. (US) 1995-05-30 — — US claimed
EP-0643781-A1 ELECTROCATALYTIC ASYMMETRIC DIHYDROXYLATION OF OLEFINIC COMPOUNDS SEPRACOR, INC. (US) 1995-03-22 — — EP claimed
WO-1993017150-A1 ELECTROCATALYTIC ASYMMETRIC DIHYDROXYLATION OF OLEFINIC COMPOUNDS SEPRACOR, INC. (US) 1993-09-02 — — WO claimed
CN-114213254-B Beta-nitroketone and preparation method and application method thereof 北京师范大学 2023-04-25 — — CN disclosed
US-8809567-B2 Method for producing silylenol ethers KYOTO UNIVERSITY (JP) 2014-08-19 — — US disclosed
US-8809567-B2 Method for producing silylenol ethers KYOTO UNIVERSITY (JP) 2014-08-19 — — US disclosed
US-8809567-B2 Method for producing silylenol ethers KYOTO UNIVERSITY (JP) 2014-08-19 — — US disclosed
US-20130053567-A1 METHOD FOR PRODUCING SILYLENOL ETHERS KYOTO UNIVERSITY (JP) 2013-02-28 — — US disclosed
US-20130053567-A1 METHOD FOR PRODUCING SILYLENOL ETHERS KYOTO UNIVERSITY (JP) 2013-02-28 — — US disclosed
US-20130053567-A1 METHOD FOR PRODUCING SILYLENOL ETHERS KYOTO UNIVERSITY (JP) 2013-02-28 — — US disclosed
EP-2543674-A1 METHOD FOR PRODUCING SILYLENOL ETHERS Kyoto University (JP) 2013-01-09 — — EP disclosed
EP-1203616-B1 CHIRAL LEAD CATALYST AND METHOD OF ASYMMETRIC ALDOL REACTION JAPAN SCIENCE & TECH AGENCY (JP) 2007-01-10 — — EP disclosed
US-6780812-B2 SUCH AS LEAD TRIFLATE AND A CHIRAL CROWN ETHER COMPOUND JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2004-08-24 — — US disclosed
US-20040087437-A1 CHIRAL LEAD CATALYST AND METHOD OF ASYMMETRIC ALDOL REACTION JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2004-05-06 — — US disclosed
US-6525227-B1 Mannich, allylation, or aldol reactions using divalent copper, tin or iron compound stable in water JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2003-02-25 — — US disclosed
EP-1203616-A1 CHIRAL LEAD CATALYST AND METHOD OF ASYMMETRIC ALDOL REACTION Japan Science and Technology Corporation (JP) 2002-05-08 — — EP disclosed
EP-0643781-B1 ELECTROCATALYTIC ASYMMETRIC DIHYDROXYLATION OF OLEFINIC COMPOUNDS SEPRACOR INC (US) 1998-06-24 — — EP disclosed
US-5419817-A Osmium tetroxide catalyst; preparing hydroxycarbonyl compounds from enol ether or vinyl halide SEPRACOR INC. (US) 1995-05-30 — — US disclosed
US-5302257-A Preparing optically active glycols using catalyst complex of osmium tetroxide and chiral oxidation resistant tertiary amine, employing secondary oxidant to generate osmium tetroxide, electrolytically regenerating secondary oxidant SEPRACOR, INC. (US) 1994-04-12 — — 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 (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-20130053567-A1 METHOD FOR PRODUCING SILYLENOL ETHERS AKR7A2, MSMO1, CYP2E1 TSHR 4458/4885F2 713/4885F10 1526/4885

“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.