Sugi Predict

Sugi Predict / Compounds / SCHEMBL3054871

SCHEMBL3054871

SCHEMBL3054871

CC(=O)Nc1ccccc1CC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 2/20 0.59
▸ PTGS2 P35354 4/20 0.57
▸ CXCL8 P10145 5/20 0.56
▸ ALDH1A1 P00352 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ AKR1B10 O60218 1/20 0.53
▸ UGT1A9 O60656 1/20 0.53
▸ TRPA1 O75762 1/20 0.53
▸ ABCB11 O95342 1/20 0.53
▸ MT-CO2 P00403 1/20 0.53
▸ TTR P02766 1/20 0.53
▸ ALB P02768 1/20 0.53
▸ UGT1A6 P19224 1/20 0.53
▸ UGT1A1 P22309 1/20 0.53
▸ PTGS1 P23219 1/20 0.53
▸ CXCR1 P25024 1/20 0.53
▸ ADRA1A P35348 1/20 0.53
▸ AGTR2 P50052 1/20 0.53
▸ NR1I3 Q14994 1/20 0.53
▸ SLC22A6 Q4U2R8 1/20 0.53

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
SCHEMBL31226210 1.00 NR1H4 (0.59) NR1H4PTGS2CXCL8ALDH1A1HPGD
SCHEMBL10650419 0.86 ALDH1A1 (0.50) NR1H4PTGS2ALDH1A1HPGDPOLB
SCHEMBL6970823 0.85 ALDH1A1 (0.53) NR1H4ALDH1A1HPGDPOLBCYP2C19
SCHEMBL28030687 0.84 ALDH1A1 (0.52) NR1H4ALDH1A1HPGDPOLBCYP2C19
SCHEMBL9724473 0.83 CXCL8 (0.57) NR1H4PTGS2CXCL8ALDH1A1HPGD
SCHEMBL7086389 0.83 ALDH1A1 (0.55) ALDH1A1HPGDPOLBCYP2C19MAPK1
SCHEMBL6493990 0.83 POLB (0.50) NR1H4PTGS2ALDH1A1HPGDPOLB
SCHEMBL1644965 0.82 MAPK1 (0.59) ALDH1A1HPGDPOLBMAPK1
SCHEMBL13329758 0.82 ALDH1A1 (0.63) NR1H4PTGS2CXCL8ALDH1A1AKR1B10
SCHEMBL194382 0.82 NR1H4 (0.56) NR1H4PTGS2CXCL8AKR1B10UGT1A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113698308-A Novel synthesis method of bromfenac sodium 山东辰龙药业有限公司 2021-11-26 — — CN claimed
CN-113698308-B Synthesis method of bromfenac sodium 山东辰龙药业有限公司 2024-06-21 — — CN disclosed
CN-111440077-B Synthesis method of 2, 5-diaminophenylethanol sulfate and application thereof in antiallergic hair dye 上海舒尔发化妆品科技有限公司 2022-07-22 — — CN disclosed
CN-112778203-B Process for the preparation of 1H-indazole-3-carboxylic acid derivatives and granisetron and lonidamine 兰州交通大学 2022-02-15 — — CN disclosed
CN-113698308-A Novel synthesis method of bromfenac sodium 山东辰龙药业有限公司 2021-11-26 — — CN disclosed
CN-112778203-A Process for the preparation of 1H-indazole-3-carboxylic acid derivatives and granisetron and lonidamine 兰州交通大学 2021-05-11 — — CN disclosed
CN-111440077-A Synthesis method of 2, 5-diaminophenylethanol sulfate and application thereof in anti-allergic hair dye 上海舒尔发化妆品科技有限公司 2020-07-24 — — CN disclosed
EP-2217216-A1 FORMULATIONS FOR ENHANCED BIOAVAILABILITY OF ORALLY ADMINISTERED POLAR AGENTS Scolr Pharma, Inc. (US) 2010-08-18 — — EP disclosed
US-20100158905-A1 COMBINATION THERAPY OF ARTHRITIS WITH TRANILAST NUON THERAPEUTICS, INC. (US) 2010-06-24 — — US disclosed
WO-2009061805-A1 FORMULATIONS FOR ENHANCED BIOAVAILABILITY OF ORALLY ADMINISTERED POLAR AGENTS SCOLR PHARMA, INC. (US) 2009-05-14 — — WO disclosed
US-20080293705-A1 A1 ADENOSINE RECEPTOR ANTAGONISTS ENDACEA, INC. (US) 2008-11-27 — — US disclosed
US-7423041-B2 e.g. 3-[2-(4-Aminophenyl)ethyl]-8-benzyl-1-propylxanthine; A1-adenosine receptor antagonist; antiallergen, antiinflammatory agent; AIDS and immune deficiency disorders, asthma; good water solubility ENDACEA, INC. (US) 2008-09-09 — — US disclosed
US-20070161629-A1 A1 Adenosine Receptor Antagonists ENDACEA, INC. (US) 2007-07-12 — — US disclosed
US-7202252-B2 A1 adenosine receptor antagonists ENDACEA, INC. (US) 2007-04-10 — — US disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 — — US disclosed
EP-1601649-A2 A1 ADENOSINE RECEPTOR ANTAGONISTS Endacea Inc. (US) 2005-12-07 — — EP disclosed
US-20050119258-A1 A1 adenosine receptor antagonists ENDACEA, INC. 2005-06-02 — — US disclosed
WO-2004074247-A2 A1 ADENOSINE RECEPTOR ANTAGONISTS ENDACEA, INC. (US) 2004-09-02 — — WO disclosed
US-20040110945-A1 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 — — US disclosed
EP-1346982-A1 VLA-4 INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 — — EP 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 (5 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-20050119258-A1 A1 adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 NR1H4 221/4885PTGS2 1606/4885CXCL8 3729/4885
US-20070161629-A1 A1 Adenosine Receptor Antagonists ADORA1, ADORA2A, ADORA3 NR1H4 221/4885PTGS2 1606/4885CXCL8 3729/4885
US-20100158905-A1 COMBINATION THERAPY OF ARTHRITIS WITH TRANILAST PTGS2, PTGES2, PTGES NR1H4 1098/4885PTGS2 1/4885CXCL8 2163/4885
US-20040110945-A1 Vla-4 inhibitors VCAM1, ITGA1, ITGB4 NR1H4 247/4885PTGS2 3236/4885CXCL8 1619/4885
US-20080293705-A1 A1 ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 NR1H4 221/4885PTGS2 1606/4885CXCL8 3729/4885

“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.