SCHEMBL1028463

SCHEMBL1028463

CC(C)Cc1ccc([C@H](C)C(=O)Cl)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 5/20 0.70
CXCR2 P25025 5/20 0.70
PTGS1 P23219 3/20 0.70
PTGS2 P35354 3/20 0.70
LMNA P02545 2/20 0.70
CYP2C9 P11712 2/20 0.70
AKR1C3 P42330 2/20 0.70
ALB P02768 1/20 0.70
ESR1 P03372 1/20 0.70
ALOX5 P09917 1/20 0.70
RARB P10826 1/20 0.70
ADRB3 P13945 1/20 0.70
NFKB1 P19838 1/20 0.70
HTR2A P28223 1/20 0.70
NR1I3 Q14994 1/20 0.70
SLC22A6 Q4U2R8 1/20 0.70
CXCL8 P10145 1/20 0.70
TSHR P16473 1/20 0.70
AKR1C2 P52895 1/20 0.70
BLM P54132 1/20 0.70

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
SCHEMBL3894104 1.00 CXCR1 (0.70) CXCR1CXCR2PTGS1PTGS2LMNA
SCHEMBL1028462 1.00 CXCR1 (0.70) CXCR1CXCR2PTGS1PTGS2LMNA
SCHEMBL9257901 0.83 PTGS2 (0.46) CXCR1CXCR2PTGS1PTGS2LMNA
Ibuprofen SCHEMBL19439560 0.82 PTGS1 (1.00) CXCR1CXCR2PTGS1PTGS2LMNA
Ibuprofen SCHEMBL3001 0.82 PTGS1 (1.00) CXCR1CXCR2PTGS1PTGS2LMNA
Ibuprofen SCHEMBL19439559 0.82 PTGS1 (1.00) CXCR1CXCR2PTGS1PTGS2LMNA
Dexibuprofen SCHEMBL30091137 0.82 PTGS1 (1.00) CXCR1CXCR2PTGS1PTGS2LMNA
Ibuprofen SCHEMBL239446 0.82 PTGS1 (1.00) CXCR1CXCR2PTGS1PTGS2LMNA
Ibuprofen SCHEMBL8754799 0.82 PTGS1 (1.00) CXCR1CXCR2PTGS1PTGS2LMNA
SCHEMBL4471196 0.82 CXCR1 (0.79) CXCR1CXCR2PTGS1PTGS2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050154051-A1 Method for the preparation of escitalopram H. LUNDBECK A/S (DK) 2005-07-14 US claimed
CN-1602305-A Method for the preparation of escitalopram LUNDBECK & CO AS H (DK) 2005-03-30 CN claimed
EP-1458701-A1 METHOD FOR THE PREPARATION OF ESCITALOPRAM H. Lundbeck A/S (DK) 2004-09-22 EP claimed
WO-2003051861-A1 METHOD FOR THE PREPARATION OF ESCITALOPRAM H. LUNDBECK A/S (DK) 2003-06-26 WO claimed
US-20250241922-A1 ANTI-INFLAMMATORY COUPLING COMPOUND DRUG, AND PREPARATION METHOD THEREFOR AND USE THEREOF COVAL BIOPHARMA (SHANGHAI)CO., LTD. (CN) 2025-07-31 US disclosed
US-20250241921-A1 ANTI-INFLAMMATORY COUPLING COMPOUND DRUG, AND PREPARATION METHOD THEREFOR AND USE THEREOF COVAL BIOPHARMA (SHANGHAI)CO., LTD. (CN) 2025-07-31 US disclosed
US-12290519-B2 Anti-inflammatory coupling compound drug, and preparation method therefor and use thereof COVAL BIOPHARMA (SHANGHAI) CO., LTD. (CN) 2025-05-06 US disclosed
US-20240197741-A1 EXTERNAL ANTI-INFLAMMATORY COUPLING COMPOUND DRUG, AND PREPARATION METHOD THEREFOR AND USE THEREOF COVAL BIOPHARMA(SHANGHAI)CO., LTD. (CN) 2024-06-20 US disclosed
CN-117355527-B Anti-inflammatory coupling compound medicine and preparation method and application thereof 上海椿安生物医药科技有限公司 2024-06-07 CN disclosed
EP-4357346-A1 EXTERNAL ANTI-INFLAMMATORY COUPLING COMPOUND DRUG, AND PREPARATION METHOD THEREFOR AND USE THEREOF Coval Biopharma (Shanghai) Co., Ltd. (CN) 2024-04-24 EP disclosed
CN-117355527-A External anti-inflammatory coupling compound medicine and preparation method and application thereof 上海椿安生物医药科技有限公司 2024-01-05 CN disclosed
CN-117105822-A Synthesis method of (R) -3- (tertiary Ding Yangtan group) amino-2-methylpropanoic acid 杭州澳赛诺生物科技有限公司 2023-11-24 CN disclosed
US-5191095-A Preparation of ibuprofen ETHYL CORPORATION (US) 1993-03-02 US disclosed
WO-1992020334-A1 PHARMACEUTICAL COMPOSITION COMPRISING IBUPROFEN SALT THE BOOTS COMPANY PLC (GB) 1992-11-26 WO disclosed
US-4840936-A ANTIFLAMMATORY, ANALGESIC AGENT TO PREVENT ARRHYTHMIAS ZAMBON S.P.A. (IT) 1989-06-20 US disclosed
US-4812477-A Thioesters for the treatment of ischemia and reperfusion syndromes ZAMBON S.P.A. (IT) 1989-03-14 US disclosed
US-4806567-A Method for the treatment of ischemia and reperfusion syndromes ZAMBON S.P.A. (IT) 1989-02-21 US disclosed
EP-0255164-A2 A thioester and its use for preparing pharmaceutical compositions for the treatment of ischemia and reperfusion syndromes ZAMBON S.p.A. (IT) 1988-02-03 EP disclosed
EP-0254354-A1 Pharmaceutically useful derivatives of thiazolidine-4-carboxylic acid ZAMBON S.p.A. (IT) 1988-01-27 EP disclosed
US-4134989-A ANALGESICS, ANTIINFLAMMATORY AGENTS, ANTIPYRETIC, ANTISEPTIC, EXPECTORATING AGENTS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 1979-01-16 US 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-20250241921-A1 ANTI-INFLAMMATORY COUPLING COMPOUND DRUG, AND PREPARATION METHOD THEREFOR AND USE THEREOF JAK1, TNF, CYP4A11 CXCR1 310/4885CXCR2 288/4885PTGS1 16/4885
US-20050154051-A1 Method for the preparation of escitalopram SLC6A4, TPH2, SLC6A3 CXCR1 2084/4885CXCR2 2896/4885PTGS1 2238/4885
US-12290519-B2 Anti-inflammatory coupling compound drug, and preparation method therefor and use thereof JAK1, TNF, CYP4A11 CXCR1 310/4885CXCR2 288/4885PTGS1 16/4885
US-20250241922-A1 ANTI-INFLAMMATORY COUPLING COMPOUND DRUG, AND PREPARATION METHOD THEREFOR AND USE THEREOF JAK1, TNF, CYP4A11 CXCR1 310/4885CXCR2 288/4885PTGS1 16/4885
US-20240197741-A1 EXTERNAL ANTI-INFLAMMATORY COUPLING COMPOUND DRUG, AND PREPARATION METHOD THEREFOR AND USE THEREOF TNF, CYP4A11, JAK1 CXCR1 824/4885CXCR2 691/4885PTGS1 16/4885

“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.