Sugi Predict

Sugi Predict / Compounds / SCHEMBL456464

SCHEMBL456464

SCHEMBL456464

CC(C)c1cc(C(C)C)c(S([O])(=O)=O)c(C(C)C)c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FABP4 P15090 6/20 0.67
▸ FABP3 P05413 2/20 0.67
▸ FABP5 Q01469 1/20 0.67
▸ ALDH1A1 P00352 1/20 0.46
▸ GABRA1 P14867 1/20 0.43
▸ GABRB2 P47870 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.40
▸ HDAC1 Q13547 1/20 0.39
▸ NR3C1 P04150 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ ENPP3 O14638 2/20 0.36
▸ ENPP1 P22413 2/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ PDE4B Q07343 1/20 0.36

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
SCHEMBL8989764 0.84 FABP4 (0.69) FABP4FABP3FABP5ALDH1A1GABRA1
SCHEMBL162818 0.82 FABP4 (0.67) FABP4FABP3FABP5ALDH1A1GABRA1
SCHEMBL8243105 0.82 FABP4 (0.67) FABP4FABP3FABP5ALDH1A1GABRA1
SCHEMBL12983353 0.80 FABP4 (0.64) FABP4FABP3FABP5ALDH1A1GABRA1
SCHEMBL1069046 0.80 FABP4 (0.64) FABP4FABP3FABP5ALDH1A1GABRA1
SCHEMBL15139221 0.80 FABP4 (0.64) FABP4FABP3FABP5ALDH1A1GABRA1
SCHEMBL10952493 0.80 FABP4 (0.64) FABP4FABP3FABP5ALDH1A1GABRA1
SCHEMBL17318094 0.80 FABP4 (0.64) FABP4FABP3FABP5ALDH1A1GABRA1
SCHEMBL86091 0.80 FABP4 (1.00) FABP4FABP3FABP5ALDH1A1GABRA1
SCHEMBL2322601 0.78 FABP4 (0.96) FABP4FABP3FABP5ALDH1A1GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024110994-A1 A PROCESS FOR THE PREPARATION OF LEDIPASVIR COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH AN INDIAN REGISTERED BODY INCORPORATED UNDER THE REGN. OF SOC. ACT (ACT XXI OF 1860) (IN) 2024-05-30 — — WO claimed
CN-116854630-A Methods and intermediates for preparing therapeutic compounds useful in the treatment of retroviral infections 吉利德科学公司 2023-10-10 — — CN claimed
EP-3841101-B1 METHOD FOR PREPARING 2-[(3R)-3-METHYLMORPHOLIN-4-YL]-4-[1-METHYL-1H-PYRAZOL-5-YL)-8-(1H-PYRAZOL-5-YL)-1,7-NAPHTHYRIDINE BAYER AG (DE) 2023-05-03 — — EP claimed
US-20230057246-A1 NOVEL PROCESSES FOR PREPARATION OF TEZACAFTOR LAURUS LABS LIMITED (IN) 2023-02-23 — — US claimed
EP-4099991-A1 NOVEL PROCESSES FOR PREPARATION OF TEZACAFTOR Laurus Labs Limited (IN) 2022-12-14 — — EP claimed
US-20210253573-A1 METHOD FOR PREPARING 2-[(3R)-3-METHYLMORPHOLIN-4-YL]-4-[1-METHYL-1H-PYRAZOL-5-YL)-8-(1H-PYRAZOL-5-YL)-1,7-NAPHTHYRIDINE BAYER AKTIENGESELLSCHAFT (DE) 2021-08-19 — — US claimed
WO-2021156811-A1 NOVEL PROCESSES FOR PREPARATION OF TEZACAFTOR LAURUS LABS LIMITED (IN) 2021-08-12 — — WO claimed
EP-3841101-A1 METHOD FOR PREPARING 2-[(3R)-3-METHYLMORPHOLIN-4-YL]-4-[1-METHYL-1H-PYRAZOL-5-YL)-8-(1H-PYRAZOL-5-YL)-1,7-NAPHTHYRIDINE Bayer Aktiengesellschaft (DE) 2021-06-30 — — EP claimed
EP-3752496-A1 METHODS AND INTERMEDIATES FOR PREPARING A THERAPEUTIC COMPOUND USEFUL IN THE TREATMENT OF RETROVIRIDAE VIRAL INFECTION GILEAD SCIENCES, INC. (US) 2020-12-23 — — EP claimed
CN-112055712-A Processes and intermediates for preparing therapeutic compounds useful in the treatment of retroviral infections 吉利德科学公司 2020-12-08 — — CN claimed
US-5177202-A 2-phenanthrenyl-carbapenems MERCK & CO., INC. (US) 1993-01-05 — — US claimed
EP-0515232-A1 2-benzocoumarinyl-carbapenems MERCK & CO. INC. (US) 1992-11-25 — — EP claimed
EP-0509756-A1 2-Phenanthridonyl carbapenems having cationizeable substituents MERCK & CO. INC. (US) 1992-10-21 — — EP claimed
US-5151512-A Bactericides MERCK & CO., INC. (US) 1992-09-29 — — US claimed
US-5132421-A 2-naphthyl-carbapenem intermediates MERCK & CO., INC. (US) 1992-07-21 — — US claimed
EP-0480712-A1 2-(substituted-dibenzofuranyl and dibenzothienyl) carbapenem antibacterial agents MERCK & CO. INC. (US) 1992-04-15 — — EP claimed
EP-0472306-A1 2-(9-fluorenonyl)-carbapenem antibacterial agents MERCK & CO. INC. (US) 1992-02-26 — — EP claimed
EP-0467434-A1 2-Biphenyl-carbapenem antibacterial agents MERCK & CO. INC. (US) 1992-01-22 — — EP claimed
EP-0466254-A1 2-naphthyl-carbapenems MERCK & CO. INC. (US) 1992-01-15 — — EP claimed
EP-0463852-A2 2-Phenanthrenyl-carbapenem antibacterial agents MERCK & CO. INC. (US) 1992-01-02 — — EP claimed

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-20230057246-A1 NOVEL PROCESSES FOR PREPARATION OF TEZACAFTOR CYP3A4, CYP4A11, CYP3A43 FABP4 2653/4885FABP3 4588/4885FABP5 3657/4885
US-20210253573-A1 METHOD FOR PREPARING 2-[(3R)-3-METHYLMORPHOLIN-4-YL]-4-[1-METHYL-1H-PYRAZOL-5-YL)-8-(1H-PYRAZOL-5-YL)-1,7-NAPHTHYRIDINE CYP1B1, CYP4B1, CYP1A1 FABP4 4679/4885FABP3 4275/4885FABP5 2972/4885

“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.