Sugi Predict

Sugi Predict / Compounds / SCHEMBL641418

SCHEMBL641418

SCHEMBL641418

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SMYD2 Q9NRG4 3/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ AOX1 Q06278 1/20 0.35
▸ ADH1B P00325 1/20 0.33
▸ ADH1C P00326 1/20 0.33
▸ ADH1A P07327 1/20 0.33
▸ ADH7 P40394 1/20 0.33
▸ PPARA Q07869 2/20 0.31
▸ DUT P33316 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
SCHEMBL38662 0.95 SMYD2 (0.38) SMYD2CYP3A4HTTSMN1; SMN2AOX1
SCHEMBL4824010 0.94 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2AOX1
SCHEMBL4333525 0.94 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2AOX1
SCHEMBL5073223 0.94 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2AOX1
SCHEMBL4821411 0.94 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2AOX1
SCHEMBL20500252 0.94 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2AOX1
SCHEMBL22664469 0.94 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2AOX1
SCHEMBL20500262 0.94 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2AOX1
SCHEMBL20500283 0.94 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2AOX1
SCHEMBL4123685 0.90 SMYD2 (0.40) SMYD2CYP3A4HTTSMN1; SMN2AOX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115260165-B Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof 中国科学院上海药物研究所 2024-08-06 — — CN disclosed
US-20240252672-A1 BETA-GLUCURONIDE-LINKER DRUG CONJUGATES SEAGEN INC (US) 2024-08-01 — — US disclosed
WO-2023215989-A1 SULFUR-CONTAINING LIPIDS NANOVATION THERAPEUTICS INC. (CA) 2023-11-16 — — WO disclosed
US-11713329-B2 Intermediates useful in the preparation of halichondrin compounds and methods for preparing the same BEIJING TIENYI LUFU PHARMATECH CO. LTD. (CN) 2023-08-01 — — US disclosed
CN-112351778-B Fused tricyclic heterocycles and therapeutic uses thereof 江苏恒瑞医药股份有限公司 2023-04-04 — — CN disclosed
US-11535633-B2 Fused tricyclic heterocycle compounds and therapeutic uses thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2022-12-27 — — US disclosed
CN-113195473-B Tricyclic compound as STING agonist and preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2022-11-22 — — CN disclosed
CN-115260165-A Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof 中国科学院上海药物研究所 2022-11-01 — — CN disclosed
EP-4026840-A1 BETA-GLUCURONIDE-LINKER DRUG CONJUGATES Seagen Inc. (US) 2022-07-13 — — EP disclosed
US-20220143209-A1 BETA-GLUCURONIDE-LINKER DRUG CONJUGATES SEAGEN INC (US) 2022-05-12 — — US disclosed
WO-2006088813-A1 SUBSTITUTED PYRAZOLES AS MODULATORS OF CHEMOKINE RECEPTORS MERCK & CO., INC. (US) 2006-08-24 — — WO disclosed
EP-1687275-A1 PYRIDIN-4-YLAMINE COMPOUNDS USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN Merck & Co., Inc. (US) 2006-08-09 — — EP disclosed
US-6930104-B2 Heterocyclic derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-16 — — US disclosed
US-20050165063-A1 Amine compounds and use thereof KUREHA CHEMICAL INDUSTRY COMPANY, LIMITED. (JP) 2005-07-28 — — US disclosed
EP-1550657-A1 AMINE COMPOUNDS AND USE THEREOF Kureha Chemical Industry Co., Ltd. (JP) 2005-07-06 — — EP disclosed
WO-2005051915-A1 PYRIDIN-4-YLAMINE COMPOUNDS USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN MERCK & CO., INC. (US) 2005-06-09 — — WO disclosed
US-20050107343-A1 Pyrrolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION 2005-05-19 — — US disclosed
US-20040157850-A1 Novel heterocyclic derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-12 — — US disclosed
EP-1382598-A1 NOVEL HETEROCYCLIC DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2004-01-21 — — EP disclosed
US-5780241-A ALTERING ELECTROCHEMICAL PROPERTIES BY DECYCLIZATION ISIS PHARMACEUTICALS, INC. (US) 1998-07-14 — — 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 (7 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-20050107343-A1 Pyrrolopyrimidines and related analogs as HSP90-inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 SMYD2 3257/4885CYP3A4 4204/4885HTT 832/4885
US-11535633-B2 Fused tricyclic heterocycle compounds and therapeutic uses thereof STING1, CGAS, MAVS SMYD2 3886/4885CYP3A4 521/4885HTT 3966/4885
US-20050165063-A1 Amine compounds and use thereof NR0B2, NR5A2, NR1H4 SMYD2 1785/4885CYP3A4 426/4885HTT 3354/4885
US-20240252672-A1 BETA-GLUCURONIDE-LINKER DRUG CONJUGATES UGT2B7, UGT1A1, UGT2B17 SMYD2 3832/4885CYP3A4 85/4885HTT 2280/4885
US-20040157850-A1 Novel heterocyclic derivatives APP, BACE1, PSEN1 SMYD2 4335/4885CYP3A4 3389/4885HTT 64/4885
US-20220143209-A1 BETA-GLUCURONIDE-LINKER DRUG CONJUGATES UGT2B7, UGT1A1, UGT2B17 SMYD2 3832/4885CYP3A4 85/4885HTT 2280/4885
US-11713329-B2 Intermediates useful in the preparation of halichondrin compounds and methods for preparing the same ERLIN1, ERLIN2, MAN1B1 SMYD2 4598/4885CYP3A4 729/4885HTT 395/4885

“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.