Sugi Predict

Sugi Predict / Compounds / SCHEMBL8772548

SCHEMBL8772548

SCHEMBL8772548

C[Si](C)(C)OC1=CCCc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 1/20 0.35
▸ NOS3 P29474 2/20 0.34
▸ NOS2 P35228 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ G6PC1 P35575 1/20 0.33
▸ GPR84 Q9NQS5 1/20 0.33
▸ TYMS P04818 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ SETD7 Q8WTS6 1/20 0.33
▸ CYP2A6 P11509 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ PLA2G1B P04054 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ATG4B Q9Y4P1 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL29446604 1.00 CES1 (0.35) CES1NOS3NOS2L3MBTL1HPGD
SCHEMBL12797093 0.90 L3MBTL1 (0.39) CES1NOS3NOS2L3MBTL1HPGD
SCHEMBL7614983 0.81 HTR6 (0.34) NOS3NOS2MAOAMAOB
SCHEMBL6161470 0.79 CES1 (0.39) CES1L3MBTL1HPGDG6PC1SETD7
SCHEMBL1702769 0.77 TYMS (0.38) L3MBTL1TYMSMAOAMAOB
SCHEMBL629499 0.76 MPO (0.57) MAPTSMN1; SMN2
SCHEMBL28323714 0.75 CES1 (0.35) CES1NOS3NOS2L3MBTL1HPGD
SCHEMBL19096363 0.73 CES1 (0.41) CES1L3MBTL1HPGDG6PC1GPR84
SCHEMBL8500693 0.72 MAPT (0.44) CES1L3MBTL1HPGDMEN1PLA2G1B
SCHEMBL5606605 0.71 GPR84 (0.45) CES1L3MBTL1HPGDG6PC1GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012153162-A1 NOVEL METHOD FOR PREPARATION OF ATOVAQUONE LUPIN LIMITED (IN) 2012-11-15 — — WO claimed
US-12390424-B2 Sulfur (VI) fluoride compounds and methods for the preparation thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2025-08-19 — — US disclosed
EP-4295841-A2 SULFUR (VI) FLUORIDE COMPOUNDS AND THEIR USE IN CLICK-REACTION The Scripps Research Institute (US) 2023-12-27 — — EP disclosed
EP-3892610-B1 SULFUR (VI) FLUORIDE COMPOUNDS AND THEIR USE IN CLICK-REACTION SCRIPPS RESEARCH INST (US) 2023-08-16 — — EP disclosed
CN-114213254-B Beta-nitroketone and preparation method and application method thereof 北京师范大学 2023-04-25 — — CN disclosed
US-20220313624-A1 SULFUR (VI) FLUORIDE COMPOUNDS AND METHODS FOR THE PREPARATION THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2022-10-06 — — US disclosed
CN-114213254-A Beta-nitroketone, and preparation method and application method thereof 北京师范大学 2022-03-22 — — CN disclosed
US-20220000799-A1 SULFUR (VI) FLUORIDE COMPOUNDS AND METHODS FOR THE PREPARATION THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2022-01-06 — — US disclosed
EP-3892610-A1 SULFUR (VI) FLUORIDE COMPOUNDS AND THEIR USE AS SCREENING AGENT The Scripps Research Institute (US) 2021-10-13 — — EP disclosed
US-11141385-B2 Sulfur (VI) fluoride compounds and methods for the preparation thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2021-10-12 — — US disclosed
EP-2543674-A1 METHOD FOR PRODUCING SILYLENOL ETHERS Kyoto University (JP) 2013-01-09 — — EP disclosed
WO-2012153162-A1 NOVEL METHOD FOR PREPARATION OF ATOVAQUONE LUPIN LIMITED (IN) 2012-11-15 — — WO disclosed
WO-2012153162-A1 NOVEL METHOD FOR PREPARATION OF ATOVAQUONE LUPIN LIMITED (IN) 2012-11-15 — — WO disclosed
WO-2012072489-A1 ALPHA,BETA-UNSATURATED IMINES BAYER CROPSCIENCE AG (DE) 2012-06-07 — — WO disclosed
EP-0800517-A1 ACETYLENES DISUBSTITUTED WITH A 5 OR 8 SUBSTITUTED TETRAHYDRONAPHTHYL OR DIHYDRONAPHTHYL GROUP AND WITH AN ARYL OR HETEROARYL GROUPS HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY Allergan (US) 1997-10-15 — — EP disclosed
US-5618931-A SKIN DISORDERS, ANTIINFLAMMATORY AGENTS ALLERGAN 1997-04-08 — — US disclosed
WO-1996020930-A1 ACETYLENES DISUBSTITUTED WITH A 5 OR 8 SUBSTITUTED TETRAHYDRONAPHTHYL OR DIHYDRONAPHTHYL GROUP AND WITH AN ARYL OR HETEROARYL GROUPS HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN (US) 1996-07-11 — — WO disclosed
EP-0422596-B1 Tricyclic carbapenem compounds TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-07-05 — — EP disclosed
US-5393751-A Antibiotics TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-02-28 — — US disclosed
EP-0422596-A2 Tricyclic carbapenem compounds Takeda Chemical Industries, Ltd. (JP) 1991-04-17 — — EP 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 (4 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-12390424-B2 Sulfur (VI) fluoride compounds and methods for the preparation thereof GRB2, SCTR, OGFR CES1 4524/4885NOS3 3507/4885NOS2 3699/4885
US-20220313624-A1 SULFUR (VI) FLUORIDE COMPOUNDS AND METHODS FOR THE PREPARATION THEREOF QSOX1, YBX1, SFXN1 CES1 3315/4885NOS3 1506/4885NOS2 1564/4885
US-20220000799-A1 SULFUR (VI) FLUORIDE COMPOUNDS AND METHODS FOR THE PREPARATION THEREOF PTMS, IGF2R, SCTR CES1 4631/4885NOS3 3404/4885NOS2 3734/4885
US-11141385-B2 Sulfur (VI) fluoride compounds and methods for the preparation thereof CYP2F1, CYP2S1, NAF1 CES1 309/4885NOS3 599/4885NOS2 565/4885

“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.