Sugi Predict

Sugi Predict / Compounds / SCHEMBL875044

SCHEMBL875044

SCHEMBL875044

CC(C)(C)[Si](OCc1ccccc1C=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.39
▸ LMNA P02545 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ SMYD2 Q9NRG4 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CDK4 P11802 1/20 0.31
▸ CCND1 P24385 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
SCHEMBL4603138 0.82 BACE1 (0.51) BACE1HTT
SCHEMBL4603145 0.82 BACE1 (0.51) BACE1HTT
SCHEMBL9525931 0.81 SMYD2 (0.34) KMT2AMEN1ALDH1A1HTTSMN1; SMN2
SCHEMBL13331267 0.81 ERN1 (0.41) LMNAKMT2AMEN1ALDH1A1HTT
SCHEMBL29423378 0.81 ERN1 (0.41) LMNAKMT2AMEN1ALDH1A1HTT
SCHEMBL30219107 0.80 BACE1 (0.56) BACE1LMNAKMT2AMEN1THRB
SCHEMBL2082920 0.80 BACE1 (0.56) BACE1LMNAKMT2AMEN1THRB
SCHEMBL305028 0.79 BACE1 (0.39) BACE1
SCHEMBL7429083 0.79 SMYD2 (0.30) SMYD2
SCHEMBL4116949 0.78 SMYD2 (0.31) HTTSMN1; SMN2SMYD2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6541626-B2 Protecting/blocking the exocyclic amino function of purine nucleosides without effecting hydroxyl groups of sugar moieties via forming activated ester ISIS PHARMACEUTICALS, INC. 2003-04-01 — — US claimed
US-20030022862-A1 Process for selective N-acylation of purine nucleosides ALLAHABAD, UNIVERSITY OF (IN) 2003-01-30 — — US claimed
WO-2002083702-A1 PROCESS FOR SELECTIVE N-ACYLATION OF PURINE NUCLEOSIDES ISIS PHARMACEUTICALS, INC. (US) 2002-10-24 — — WO claimed
EP-0648220-A1 DEUTERATED NUCLEOSIDES CHATTOPADHYAYA, Jyoti (SE) 1995-04-19 — — EP claimed
WO-1993025566-A1 DEUTERATED NUCLEOSIDES CHATTOPADHYAYA JYOTI (SE) 1993-12-23 — — WO claimed
US-11999757-B2 Synthesis of boronate ester derivatives and uses thereof MELINTA SUBSIDIARY CORP. (US) 2024-06-04 — — US disclosed
EP-4356736-A2 SYNTHESIS OF BORONATE SALTS Melinta Therapeutics, Inc. (US) 2024-04-24 — — EP disclosed
EP-3604316-B1 SYNTHESIS OF BORONATE SALTS MELINTA THERAPEUTICS INC (US) 2023-12-06 — — EP disclosed
US-11237156-B2 Method and composition for detection of peptide cyclization using protein tags Roche Sequencing Solutions, Inc. (US) 2022-02-01 — — US disclosed
EP-3497446-B1 METHOD AND COMPOSITION FOR DETECTION OF PEPTIDE CYCLIZATION USING PROTEIN TAGS HOFFMANN LA ROCHE (CH) 2021-04-28 — — EP disclosed
US-20200308197-A1 SYNTHESIS OF BORONATE ESTER DERIVATIVES AND USES THEREOF MELINTA SUBSIDIARY CORP. 2020-10-01 — — US disclosed
EP-3704130-A1 SYNTHESIS OF BORONATE ESTER DERIVATIVES AND USES THEREOF Melinta Therapeutics, Inc. (US) 2020-09-09 — — EP disclosed
WO-2012040242-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-03-29 — — WO disclosed
EP-1412752-B1 METHODS AND COMPOSITIONS FOR DETERMINING THE PURITY OF AND PURIFYING CHEMICALLY SYNTHESIZED NUCLEIC ACIDS VERI Q INC (US) 2011-06-22 — — EP disclosed
US-20100016312-A1 Substituted indolyl and indazolyl derivatives and uses thereof ROCHE PALO ALTO LLC 2010-01-21 — — US disclosed
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 — — US disclosed
EP-2017275-A1 BENZISOXAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2009-01-21 — — EP disclosed
US-6541626-B2 Protecting/blocking the exocyclic amino function of purine nucleosides without effecting hydroxyl groups of sugar moieties via forming activated ester ISIS PHARMACEUTICALS, INC. 2003-04-01 — — US disclosed
US-20030022862-A1 Process for selective N-acylation of purine nucleosides ALLAHABAD, UNIVERSITY OF (IN) 2003-01-30 — — US disclosed
WO-2002083702-A1 PROCESS FOR SELECTIVE N-ACYLATION OF PURINE NUCLEOSIDES ISIS PHARMACEUTICALS, INC. (US) 2002-10-24 — — 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 (6 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-20090318690-A1 Benzisoxazole Compound NR1I2, NR1I3, NR0B1 BACE1 2061/4885LMNA 3162/4885KMT2A 1211/4885
US-11999757-B2 Synthesis of boronate ester derivatives and uses thereof ADH5, ADH1A, ADH7 BACE1 2112/4885LMNA 4411/4885KMT2A 3000/4885
US-20030022862-A1 Process for selective N-acylation of purine nucleosides PNP, NUDT1, ADAR BACE1 4668/4885LMNA 1538/4885KMT2A 2513/4885
US-20100016312-A1 Substituted indolyl and indazolyl derivatives and uses thereof MAOB, MAOA, TPH1 BACE1 1657/4885LMNA 2107/4885KMT2A 1583/4885
US-11237156-B2 Method and composition for detection of peptide cyclization using protein tags CACYBP, VIP, PTMS BACE1 1500/4885LMNA 2858/4885KMT2A 4718/4885
US-20200308197-A1 SYNTHESIS OF BORONATE ESTER DERIVATIVES AND USES THEREOF ADH5, ADH1A, ADH7 BACE1 2112/4885LMNA 4411/4885KMT2A 3000/4885

“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.