SCHEMBL1028462

SCHEMBL1028462

CC(C)Cc1ccc(C(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
SCHEMBL1028463 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 232 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113133971-A Ibuprofen sustained-release microsphere and preparation method and application thereof 南京工业大学 2021-07-20 CN claimed
CN-102603827-A Paeoniflorin aromatic ester derivative, preparation method and applications thereof WEI WEI 2012-07-25 CN claimed
CN-101456814-A Dexibuprofen guaiacol ester and preparation method thereof ZHIHONG ZHU (CN) 2009-06-17 CN claimed
US-20050154051-A1 Method for the preparation of escitalopram H. LUNDBECK A/S (DK) 2005-07-14 US 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
EP-0255164-B1 A thioester and its use for preparing pharmaceutical compositions for the treatment of ischemia and reperfusion syndromes ZAMBON SPA (IT) 1993-10-20 EP claimed
EP-0141884-B1 NOVEL PHENYLPIPERAZINE DERIVATIVES, PROCESS FOR PREPARING THEM AND THERAPEUTIC COMPOSITIONS CONTAINING THEM JUSTE, S.A. QUIMICO-FARMACEUTICA (ES) 1988-07-20 EP claimed
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 claimed
EP-0091995-B1 NEW COMPOUND HAVING ANTIINFLAMMATORY, ANALGESIC AND MUCOREGULATING ACTIVITY, PROCESS FOR ITS PRODUCTION AND RELATIVE PHARMACEUTICAL COMPOSITIONS AUSONIA FARMACEUTICI S.r.l. (IT) 1985-07-31 EP claimed
EP-0141884-A1 Novel phenylpiperazine derivatives, process for preparing them and therapeutic compositions containing them JUSTE, S.A. QUIMICO-FARMACEUTICA (ES) 1985-05-22 EP claimed
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-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-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
EP-4466251-A1 TREATMENT OF SIGNS, SYMPTOMS AND/OR COMPLICATIONS OF VIRAL, BACTERIAL, PROTOZOAL, AND/OR FUNGAL INFECTIONS BY HIGH PENETRATION PRODRUGS TECHFIELDS INC. (US) 2024-11-27 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
US-4061759-A ANTIINFLAMMATORY, ARTHRITIS MERCK & CO., INC. (US) 1977-12-06 US disclosed
US-4008276-A ANTIINFLAMMATORY STERLING DRUG INC. (US) 1977-02-15 US disclosed
US-3971797-A ANTIARTHRITIC MERCK & CO., INC. (US) 1976-07-27 US disclosed
US-3965105-A ANTIINFLAMMATORY STERLING DRUG INC. (US) 1976-06-22 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 (4 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

“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.