Sugi Predict

Sugi Predict / Compounds / SCHEMBL2096480

SCHEMBL2096480

SCHEMBL2096480

O=C(CBr)c1cc(F)c(F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 7/20 0.43
▸ GSK3B P49841 10/20 0.37
▸ CES2 O00748 2/20 0.35
▸ CES1 P23141 2/20 0.35
▸ DGAT1 O75907 1/20 0.35
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ HPGDS O60760 1/20 0.33
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA4 P22748 1/20 0.32

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
SCHEMBL15751856 0.84 GSK3B (0.38) PTPN1GSK3BDGAT1HPGDS
SCHEMBL12159752 0.84 PIK3CA (0.40) PTPN1GSK3B
SCHEMBL3921010 0.81 POLB (0.47) PTPN1GSK3B
SCHEMBL23112676 0.81 PTPN1 (0.39) PTPN1GSK3B
SCHEMBL28720487 0.81 PTPN1 (0.39) PTPN1GSK3BDGAT1HPGDS
SCHEMBL4952801 0.81 PTPN1 (0.36) PTPN1GSK3BDGAT1HPGDS
SCHEMBL14720123 0.79 GSK3B (0.40) PTPN1GSK3BCYP11B1CYP11B2
SCHEMBL2380120 0.79 HPGDS (0.47) GSK3BHPGDS
SCHEMBL10497937 0.79 CES2 (0.37) PTPN1CES2CES1DGAT1CYP11B1
SCHEMBL16914072 0.78 GSK3B (0.42) PTPN1GSK3BCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3997096-B1 NEW HETEROCYCLIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2024-08-28 — — EP disclosed
US-20220242876-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-08-04 — — US disclosed
US-11352360-B2 TGF-beta inhibitors Rigel Pharmaceuticals, hic. (US) 2022-06-07 — — US disclosed
CN-114096545-A Novel heterocyclic compounds 豪夫迈·罗氏有限公司 2022-02-25 — — CN disclosed
CN-107406412-B TGF-beta inhibitors 里格尔药品股份有限公司 2021-07-16 — — CN disclosed
CN-107207531-B Fused imidazole derivatives as TGF-beta inhibitors 里格尔药品股份有限公司 2021-05-25 — — CN disclosed
US-10696693-B2 Fused imidazole derivatives as TGF-beta inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2020-06-30 — — US disclosed
US-20200031832-A1 TGF-Beta Inhibitors MIDCAP FINANCIAL TRUST 2020-01-30 — — US disclosed
US-10287295-B2 TGF-β inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2019-05-14 — — US disclosed
US-20180346487-A1 Fused Imidazole Derivatives as TGF-Beta Inhibitors MIDCAP FINANCIAL TRUST 2018-12-06 — — US disclosed
US-20080161341-A1 Novel imidazothiazoles and imidazoxazoles ABBVIE INC. 2008-07-03 — — US disclosed
US-20080161341-A1 Novel imidazothiazoles and imidazoxazoles ABBVIE INC. 2008-07-03 — — US disclosed
US-20080161341-A1 Novel imidazothiazoles and imidazoxazoles ABBVIE INC. 2008-07-03 — — US disclosed
WO-2008063287-A2 NOVEL IMIDAZOTHIAZOLES AND IMIDAZOXAZOLES ABBOTT LABORATORIES (US) 2008-05-29 — — WO disclosed
WO-2008063287-A2 NOVEL IMIDAZOTHIAZOLES AND IMIDAZOXAZOLES ABBOTT LABORATORIES (US) 2008-05-29 — — WO disclosed
US-7294644-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2007-11-13 — — US disclosed
US-20070238754-A1 Novel CB 1 receptor inverse agonists MAYWEG ALEXANDER 2007-10-11 — — US disclosed
EP-1583742-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 — — EP disclosed
US-20040167129-A1 Novel CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. 2004-08-26 — — US disclosed
WO-2004060870-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 — — 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 (9 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-20220242876-A1 HETEROCYCLIC COMPOUNDS CYP1B1, CYP1A1, CYP1A2 PTPN1 3505/4885GSK3B 3292/4885CES2 685/4885
US-10696693-B2 Fused imidazole derivatives as TGF-beta inhibitors TGFBR1, TGFBR2, SMAD3 PTPN1 1144/4885GSK3B 55/4885CES2 4346/4885
US-11352360-B2 TGF-beta inhibitors TGFBR1, TGFBR2, TGFB1 PTPN1 595/4885GSK3B 33/4885CES2 4288/4885
US-20180346487-A1 Fused Imidazole Derivatives as TGF-Beta Inhibitors TGFBR1, TGFBR2, SMAD3 PTPN1 1144/4885GSK3B 55/4885CES2 4346/4885
US-20200031832-A1 TGF-Beta Inhibitors TGFBR1, TGFBR2, TGFB1 PTPN1 595/4885GSK3B 33/4885CES2 4288/4885
US-20040167129-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, ARRB1 PTPN1 991/4885GSK3B 2533/4885CES2 559/4885
US-20070238754-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, GPR139 PTPN1 946/4885GSK3B 2809/4885CES2 541/4885
US-20080161341-A1 Novel imidazothiazoles and imidazoxazoles MAP3K1, MAP3K19, MAP3K5 PTPN1 858/4885GSK3B 1640/4885CES2 4020/4885
US-10287295-B2 TGF-β inhibitors TGFBR1, TGFBR2, TGFB1 PTPN1 568/4885GSK3B 32/4885CES2 4332/4885

“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.