Sugi Predict

Sugi Predict / Compounds / SCHEMBL451684

SCHEMBL451684

SCHEMBL451684

COc1cccc(OS(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STS P08842 1/20 0.47
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ NFE2L2 Q16236 3/20 0.47
▸ LMNA P02545 1/20 0.46
▸ ACHE P22303 1/20 0.44
▸ MAOB P27338 1/20 0.43
▸ PGR P06401 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ DRD1 P21728 1/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ DRD5 P21918 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ CES2 O00748 1/20 0.43
▸ CES1 P23141 1/20 0.43
▸ CA7 P43166 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ PTGS1 P23219 1/20 0.42

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
SCHEMBL5178160 0.90 CA1 (0.56) STSCA1CA2CA9DRD2
SCHEMBL8499219 0.85 L3MBTL1 (0.50) CA1CA2LMNAPTGS1PTGS2
SCHEMBL5177944 0.85 CA1 (0.50) CA1CA2CA9MAOBPGR
SCHEMBL1713657 0.84 ALDH1A1 (0.48) CA1CA2CA9ALDH1A1PTGS2
SCHEMBL18532799 0.83 CA1 (0.48) STSCA1CA2CA9DRD2
SCHEMBL1179389 0.82 L3MBTL1 (0.51) CA1CA2CA9LMNAPTGS1
SCHEMBL6941025 0.81 CA1 (0.47) CA1CA2CA9DRD2DRD1
SCHEMBL167959 0.81 PPARG (0.54) CA1CA2CA9LMNAACHE
SCHEMBL17318098 0.81 CA1 (0.50) STSCA1CA2CA9NFE2L2
SCHEMBL13416088 0.81 CA1 (0.45) CA1CA2CA9DRD2DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110903316-B Phosphonate compound and preparation method and application thereof 中南大学 2021-03-02 — — CN claimed
CN-110903316-A Phosphonate compound and preparation method and application thereof 中南大学 2020-03-24 — — CN claimed
CN-105658656-A 1, 1' -spiroindane-7, 7-bisphosphine oxides as highly active supporting ligands in palladium-catalyzed asymmetric Heck reactions 南洋理工大学 2016-06-08 — — CN claimed
US-20240376044-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2024-11-14 — — US disclosed
US-12071396-B2 Method for preparing aromatic amino acid derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-08-27 — — US disclosed
CN-116023383-A Synthesis method of chiral tetrahydrofurano [2,3-b ] tetrahydroquinoline derivative 广西师范大学 2023-04-28 — — CN disclosed
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-05-12 — — US disclosed
EP-3939962-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-01-19 — — EP disclosed
CN-113692401-A Process for producing aromatic amino acid derivative 中外制药株式会社 2021-11-23 — — CN disclosed
CN-110903316-B Phosphonate compound and preparation method and application thereof 中南大学 2021-03-02 — — CN disclosed
CN-110903316-A Phosphonate compound and preparation method and application thereof 中南大学 2020-03-24 — — CN disclosed
US-RE36256-E ADMINISTERING ARYL-SUBSTITUTED QUINOXALINE DERIVATIVES AS ANTIPROLIFERATIVE, ANTICARCINOGENIC AND ANTITUMOR AGENTS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-07-20 — — US disclosed
US-5795889-A INHIBITING CELL GROWTH WITH ENZYME INHIBITORS FOR SKIN DISORDERS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-08-18 — — US disclosed
US-5656643-A QUINOLIN PYRIDINE DERIVATIVES; USEFUL FOR TREATING CANCER, LEKEMIA, PSORIASIS, INFLAMMATORY DISODERS, BONE DISORDERS, ATHEROSCLEROSIS AND RESTENOSIS; CONTROLLS CELLULAR REPRODUCTION RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-08-12 — — US disclosed
US-5646153-A INHIBITING ABNORMAL CELL PROLIFERATION RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-07-08 — — US disclosed
US-5480883-A Bis mono- and bicyclic aryl and heteroaryl compounds which inhibit EGF and/or PDGF receptor tyrosine kinase RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-01-02 — — US disclosed
US-5409930-A Inhibits abnoramal cell proliferation; dimethoxyquinoline/ dimethylquinoline/ quinolineoxide/ and quinoxaline derivatives RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1995-04-25 — — US disclosed
EP-0532531-A1 PHENOL AND PYRIDINOL DERIVATIVES AS PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-03-24 — — EP disclosed
WO-1992020642-A1 BIS MONO-AND BICYCLIC ARYL AND HETEROARYL COMPOUNDS WHICH INHIBIT EGF AND/OR PDGF RECEPTOR TYROSINE KINASE RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-11-26 — — WO disclosed
WO-1991017987-A1 PHENOL AND PYRIDINOL DERIVATIVES AS PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-11-28 — — 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 (3 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-20240376044-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR STS 1054/4885CA1 1106/4885CA2 821/4885
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR STS 1054/4885CA1 1106/4885CA2 821/4885
US-12071396-B2 Method for preparing aromatic amino acid derivative DDC, AADAT, TYR STS 1054/4885CA1 1106/4885CA2 821/4885

“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.