Sugi Predict

Sugi Predict / Compounds / SCHEMBL5865907

SCHEMBL5865907

SCHEMBL5865907

CN(C)[Si](C)(C)C.O=C(CC(F)(F)F)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.46
▸ POLB P06746 2/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.42
▸ CES1 P23141 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ GSK3B P49841 2/20 0.40
▸ HIF1A Q16665 2/20 0.40
▸ PTPN1 P18031 2/20 0.40
▸ TRPA1 O75762 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ CYP1A2 P05177 2/20 0.40

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
SCHEMBL70367 0.86 CES1 (0.56) KMT2APOLBNPSR1KDM4ECES1
Hydrogen Sulfide SCHEMBL28313848 0.84 TDP1 (0.54) KMT2APOLBNPSR1KDM4ECES1
Acetophenone SCHEMBL571089 0.81 POLB (0.49) KMT2APOLBNPSR1KDM4ECES1
Acetoacetic Acid SCHEMBL27781228 0.77 KMT2A (0.47) KMT2APOLBNPSR1KDM4ECES1
Tetrahydrofuran SCHEMBL28151584 0.77 KMT2A (0.50) KMT2APOLBNPSR1KDM4ECES1
SCHEMBL396689 0.75 PTPN1 (0.48) KMT2APOLBNPSR1KDM4ECES1
SCHEMBL27839718 0.75 SMN1; SMN2 (0.58) KDM4EHPGDMAPTSMN1; SMN2ALDH1A1
SCHEMBL28352832 0.71 CES1 (0.52) KMT2APOLBNPSR1KDM4ECES1
SCHEMBL16439919 0.71 POLB (0.53) KMT2APOLBNPSR1KDM4ECES1
SCHEMBL28741012 0.71 ALDH1A1 (0.54) KMT2APOLBNPSR1KDM4ECES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7087789-B2 Methods for nucleophilic fluoromethylation UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2006-08-08 — — US disclosed
US-20040230079-A1 Methods for nucleophilic fluoromethylation SOUTHERN CALIFORNIA, UNIVERSITY OF 2004-11-18 — — US disclosed
US-6803477-B2 EFFICIENT PREPARATION OF TRIFLUOROMETHYL- AND DIFLUORO-METHYLSILANES USING MAGNESIUM MEDIATED REDUCTION OF CHLOROSILANES REACTING WITH TRI- AND DIFLUOROMETHYL SULFIDES, SULFOXIDES AND SULFONES; AUTOCATALYSIS UNIVERSITY OF SOUTHERN CALIFORNIA 2004-10-12 — — US disclosed
US-20030153778-A1 Magnesium mediated preparation of fluorinated alkyl silanes UNIVERSITY OF SOUTHERN CALIFORNIA 2003-08-14 — — 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-20040230079-A1 Methods for nucleophilic fluoromethylation PHF2, HAO2, GSTM2 KMT2A 1266/4885POLB 1463/4885NPSR1 2353/4885
US-20030153778-A1 Magnesium mediated preparation of fluorinated alkyl silanes TST, STS, PFAS KMT2A 480/4885POLB 1868/4885NPSR1 2438/4885

“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.