Sugi Predict

Sugi Predict / Compounds / SCHEMBL3689346

SCHEMBL3689346

SCHEMBL3689346

O=C(O)CCc1ccc(O)c(Br)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ FFAR1 O14842 7/20 0.50
▸ THRA P10827 5/20 0.50
▸ THRB P10828 5/20 0.50
▸ KEAP1 Q14145 1/20 0.48
▸ IAPP P10997 2/20 0.46
▸ FFAR4 Q5NUL3 3/20 0.46
▸ ESR1 P03372 1/20 0.46
▸ NR3C1 P04150 1/20 0.46
▸ PGR P06401 1/20 0.46
▸ NR3C2 P08235 1/20 0.46
▸ AR P10275 1/20 0.46

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
SCHEMBL27545591 0.88 MAPT (0.51) —
SCHEMBL3093884 0.85 FFAR1 (0.53) CA1CA2FFAR1THRATHRB
Dihydrocaffeic Acid SCHEMBL245530 0.82 IAPP (0.65) FFAR1KEAP1IAPP
Dihydrocaffeic Acid SCHEMBL29351390 0.82 IAPP (0.65) FFAR1KEAP1IAPP
Dihydrocaffeic Acid SCHEMBL7058919 0.82 IAPP (0.65) FFAR1KEAP1IAPP
SCHEMBL11528973 0.82 ALOX15 (0.54) —
SCHEMBL9634006 0.81 CNR1 (0.57) CA1CA2FFAR1KEAP1IAPP
SCHEMBL134713 0.81 GAA (0.68) CA2THRATHRB
SCHEMBL4815073 0.80 FFAR1 (0.51) CA1CA2FFAR1THRATHRB
SCHEMBL18830689 0.80 THRA (0.56) FFAR1THRATHRBKEAP1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117142949-A Biphenyl 3CL protease inhibitor and preparation method and application thereof 上海应用技术大学 2023-12-01 — — CN claimed
CN-117142949-B Biphenyl 3CL protease inhibitor and preparation method and application thereof 上海应用技术大学 2026-03-17 — — CN disclosed
CN-117142949-A Biphenyl 3CL protease inhibitor and preparation method and application thereof 上海应用技术大学 2023-12-01 — — CN disclosed
CN-117142949-A Biphenyl 3CL protease inhibitor and preparation method and application thereof 上海应用技术大学 2023-12-01 — — CN disclosed
CN-113402490-B Preparation method of 1,2,6, 7-tetrahydro-8H-indeno [5,4-b ] furan-8-one 白银京宇新药业有限公司 2023-01-03 — — CN disclosed
CN-113402490-A Preparation method of 1,2,6, 7-tetrahydro-8H-indeno [5,4-b ] furan-8-one 白银京宇新药业有限公司 2021-09-17 — — CN disclosed
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-25 — — US disclosed
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-03-05 — — US disclosed
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 — — EP disclosed
US-7470807-B2 Suppress production of both prostaglandins and leukotrienes and have reduced side effects; treatment of various inflammatory diseases, autoimmune diseases, allergic diseases, pain and fibrosis; for example, methyl 3-[3-acetylamino-4-cyclopentyloxy-5-(naphthalen-2-yl)phenyl]propionate ASAHI KASEI PHARMA CORPORATION (JP) 2008-12-30 — — US disclosed
EP-1660427-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2006-05-31 — — EP disclosed
CN-1653032-A Substituted phenylalkanoic acid derivatives and use thereof ASAHI CHEMICAL IND (JP) 2005-08-10 — — CN disclosed
US-6867320-B2 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2005-03-15 — — US disclosed
WO-2005016862-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2005-02-24 — — WO disclosed
EP-1477472-A1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2004-11-17 — — EP disclosed
US-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2004-03-04 — — US disclosed
US-20040028749-A1 Treating inflammation and associated complications MINNESOTA, REGENTS OF THE UNIVERSITY OF 2004-02-12 — — US disclosed
WO-2002041885-A2 TREATMENT OF INFLAMMATION AND ASSOCIATED COMPLICATIONS USING PSEUDOHALIDES REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2002-05-30 — — WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 — — EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 — — 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-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 CA1 2570/4885CA2 1002/4885FFAR1 11/4885
US-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof PTGER1, CYSLTR1, PTGS1 CA1 2331/4885CA2 864/4885FFAR1 13/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 CA1 2570/4885CA2 1002/4885FFAR1 11/4885

“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.

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