Sugi Predict

Sugi Predict / Compounds / SCHEMBL4106972

SCHEMBL4106972

SCHEMBL4106972

CC(C)(C)[Si](C)(C)OCc1ccc(N=C=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.49
▸ TSHR P16473 1/20 0.49
▸ CYP1A2 P05177 1/20 0.41
▸ TRPA1 O75762 1/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ BACE1 P56817 1/20 0.31
▸ DUT P33316 2/20 0.31
▸ USP14 P54578 1/20 0.30
▸ P2RY6 Q15077 1/20 0.30

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
SCHEMBL23322944 0.79 ALDH1A1 (0.34) CYP3A4TDP1BACE1USP14
SCHEMBL19022133 0.79 HMGCR (0.32) —
SCHEMBL1952295 0.79 CYP3A4 (0.42) CYP3A4TSHRCYP1A2
SCHEMBL22901590 0.76 GABRA1 (0.37) BACE1
SCHEMBL25239245 0.76 GABRA1 (0.30) —
SCHEMBL7906238 0.76 PREP (0.43) CYP3A4TSHRCYP1A2TRPA1MAPK1
SCHEMBL979052 0.76 BACE1 (0.40) TDP1BACE1
SCHEMBL18116759 0.75 CYP51A1 (0.39) DUT
SCHEMBL12855670 0.74 AGXT (0.52) TSHRCYP1A2USP14
SCHEMBL906834 0.74 IDO1 (0.48) CYP3A4TSHRBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114191428-B Antibody-drug conjugates based on eribulin and methods of use 卫材研究发展管理有限公司 2024-09-24 — — CN disclosed
US-20230398228-A1 ERIBULIN-BASED ANTIBODY-DRUG CONJUGATES AND METHODS OF USE EISAI R&D MAN CO LTD (JP) 2023-12-14 — — US disclosed
US-20230138729-A1 Coumarin Derivatives of Sugar Analogs and Uses Thereof Rubedo Life Sciences, Inc. 2023-05-04 — — US disclosed
US-20230138729-A1 Coumarin Derivatives of Sugar Analogs and Uses Thereof Rubedo Life Sciences, Inc. 2023-05-04 — — US disclosed
US-20230138729-A1 Coumarin Derivatives of Sugar Analogs and Uses Thereof Rubedo Life Sciences, Inc. 2023-05-04 — — US disclosed
CN-114272389-B Eribulin-based antibody-drug conjugates and methods of use 卫材研究发展管理有限公司 2023-04-18 — — CN disclosed
CN-110003291-B Fluoro glycosyl modified taxol compound and synthesis method and application thereof 天津科技大学 2022-11-29 — — CN disclosed
CN-108883198-B Eribulin-based antibody-drug conjugates and methods of use 卫材研究发展管理有限公司 2022-08-09 — — CN disclosed
US-11352347-B2 Dantrolene prodrugs and methods of their use Eagle Research Labs Limited (MT) 2022-06-07 — — US disclosed
CN-114272389-A Eribulin-based antibody-drug conjugates and methods of use 卫材研究发展管理有限公司 2022-04-05 — — CN disclosed
US-20180133320-A1 5-ALA DERIVATIVES AND USE THEREOF UNIVERSITE DE GENEVE (CH) 2018-05-17 — — US disclosed
EP-3297675-A1 5-ALA DERIVATIVES AND USE THEREOF Université de Genève (CH) 2018-03-28 — — EP disclosed
US-20170252458-A1 ERIBULIN-BASED ANTIBODY-DRUG CONJUGATES AND METHODS OF USE MORPHOTEK, INC. 2017-09-07 — — US disclosed
WO-2016185368-A1 5-ALA DERIVATIVES AND USE THEREOF UNIVERSITE DE GENEVE (CH) 2016-11-24 — — WO disclosed
EP-3095464-A1 5-ALA DERIVATIVES AND USE THEREOF UNIVERSITE DE GENEVE (CH) 2016-11-23 — — EP disclosed
US-20090227617-A1 Esters Of Glucuronide Prodrugs Of Anthracyclines And Method Of Preparation And Use In Tumor-Selective Chemotherapy PHARMACHEMIE B.V. (NL) 2009-09-10 — — US disclosed
US-20090227617-A1 Esters Of Glucuronide Prodrugs Of Anthracyclines And Method Of Preparation And Use In Tumor-Selective Chemotherapy PHARMACHEMIE B.V. (NL) 2009-09-10 — — US disclosed
EP-2098533-A1 Esters of glucuronide prodrugs of anthracyclines and method of preparation and use in tumor-selective chemotherapy PHARMACHEMIE B.V. (NL) 2009-09-09 — — EP disclosed
EP-2098534-A1 Esters of glucuronide prodrugs of anthracyclines and method of preparation and use in tumor-selective chemotherapy PHARMACHEMIE B.V. (NL) 2009-09-09 — — EP disclosed
WO-2008053479-A1 SELF-IMMOLATIVE POLYMERS RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2008-05-08 — — 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-20230138729-A1 Coumarin Derivatives of Sugar Analogs and Uses Thereof GLA, ENGASE, GLB1 CYP3A4 274/4885TSHR 3564/4885CYP1A2 716/4885
US-20180133320-A1 5-ALA DERIVATIVES AND USE THEREOF ALAD, ANXA5, AAAS CYP3A4 247/4885TSHR 4694/4885CYP1A2 561/4885
US-20090227617-A1 Esters Of Glucuronide Prodrugs Of Anthracyclines And Method Of Preparation And Use In Tumor-Selective Chemotherapy GALE, UGGT1, UGT1A3 CYP3A4 76/4885TSHR 3312/4885CYP1A2 154/4885
US-20230398228-A1 ERIBULIN-BASED ANTIBODY-DRUG CONJUGATES AND METHODS OF USE FOLR1, FOLR2, TUBB1 CYP3A4 3838/4885TSHR 1259/4885CYP1A2 3645/4885
US-11352347-B2 Dantrolene prodrugs and methods of their use BID, TPMT, CES2 CYP3A4 376/4885TSHR 3054/4885CYP1A2 278/4885
US-20170252458-A1 ERIBULIN-BASED ANTIBODY-DRUG CONJUGATES AND METHODS OF USE FOLR1, FOLR2, TUBB1 CYP3A4 3838/4885TSHR 1259/4885CYP1A2 3645/4885

“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.