SCHEMBL8001977

SCHEMBL8001977

COC(=O)[C@@H](C)c1ccc(CC(C)C)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 5/20 0.69
CXCR2 P25025 5/20 0.69
PTGS2 P35354 6/20 0.66
PTGS1 P23219 3/20 0.66
LMNA P02545 2/20 0.66
CYP2C9 P11712 2/20 0.66
AKR1C3 P42330 2/20 0.66
ALB P02768 1/20 0.66
ESR1 P03372 1/20 0.66
ALOX5 P09917 1/20 0.66
RARB P10826 1/20 0.66
ADRB3 P13945 1/20 0.66
NFKB1 P19838 1/20 0.66
HTR2A P28223 1/20 0.66
NR1I3 Q14994 1/20 0.66
SLC22A6 Q4U2R8 1/20 0.66
CXCL8 P10145 1/20 0.66
TSHR P16473 1/20 0.66
AKR1C2 P52895 1/20 0.66
BLM P54132 1/20 0.66

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
SCHEMBL576873 1.00 CXCR1 (0.69) CXCR1CXCR2PTGS2PTGS1LMNA
SCHEMBL8754792 1.00 CXCR1 (0.69) CXCR1CXCR2PTGS2PTGS1LMNA
SCHEMBL9086058 1.00 CXCR1 (0.69) CXCR1CXCR2PTGS2PTGS1LMNA
Water SCHEMBL11489033 0.98 CXCR1 (0.67) CXCR1CXCR2PTGS2PTGS1LMNA
SCHEMBL9111108 0.87 PTGS2 (0.68) CXCR1CXCR2PTGS2PTGS1LMNA
SCHEMBL16375965 0.86 PTGS2 (0.66) CXCR1CXCR2PTGS2PTGS1LMNA
SCHEMBL17464177 0.86 PTGS2 (0.66) CXCR1CXCR2PTGS2PTGS1LMNA
SCHEMBL12896272 0.86 PTGS2 (0.66) CXCR1CXCR2PTGS2PTGS1LMNA
SCHEMBL24858354 0.84 CXCR1 (0.58) CXCR1CXCR2PTGS2PTGS1LMNA
SCHEMBL2944919 0.84 PTGS2 (0.64) CXCR1CXCR2PTGS2PTGS1LMNA

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
WO-2023001045-A9 EXTERNAL ANTI-INFLAMMATORY COUPLING COMPOUND DRUG, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海椿安生物医药科技有限公司 2023-10-26 WO disclosed
WO-2023001045-A1 EXTERNAL ANTI-INFLAMMATORY COUPLING COMPOUND DRUG, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海椿安生物医药科技有限公司 2023-01-26 WO disclosed
EP-2799422-B1 METHOD FOR PRODUCING CARBOXYLIC ACID AND ALCOHOL BY HYDROLYSIS OF ESTER UNIV NAGOYA NAT UNIV CORP (JP) 2018-02-14 EP disclosed
US-9206107-B2 Method for producing carboxylic acid and alcohol by hydrolysis of ester NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2015-12-08 US disclosed
US-9206107-B2 Method for producing carboxylic acid and alcohol by hydrolysis of ester NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2015-12-08 US disclosed
US-20140378692-A1 METHOD FOR PRODUCING CARBOXYLIC ACID AND ALCOHOL BY HYDROLYSIS OF ESTER NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-12-25 US disclosed
US-20140378692-A1 METHOD FOR PRODUCING CARBOXYLIC ACID AND ALCOHOL BY HYDROLYSIS OF ESTER NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-12-25 US disclosed
US-7893094-B2 Amphiphilic pyridinium compounds, method of making and use thereof THE HENRY M. JACKSON FOUNDATION FOR THE ADVANCEMENT OF MILITARY MEDICINE, INC. (US) 2011-02-22 US disclosed
US-20070105916-A1 Amphiphilic pyridinium compounds, method of making and use thereof THE HENRY M. JACKSON FOUNDATION FOR THE ADVANCEMENT OF MILITARY MEDICINE, INC. 2007-05-10 US disclosed
US-20070105916-A1 Amphiphilic pyridinium compounds, method of making and use thereof THE HENRY M. JACKSON FOUNDATION FOR THE ADVANCEMENT OF MILITARY MEDICINE, INC. 2007-05-10 US disclosed
US-6294573-B1 FOR THERAPY RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPENIAS SUCH AS OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, AND TUMOR GROWTH AND METASTASIS OR INVASION ABBOTT LABORATORIES 2001-09-25 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 (6 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 288/4885PTGS2 37/4885
US-20070105916-A1 Amphiphilic pyridinium compounds, method of making and use thereof CXCL8, IL18, CCR8 CXCR1 213/4885CXCR2 592/4885PTGS2 544/4885
US-20140378692-A1 METHOD FOR PRODUCING CARBOXYLIC ACID AND ALCOHOL BY HYDROLYSIS OF ESTER ADH5, ADH1C, ADH1A CXCR1 4739/4885CXCR2 4848/4885PTGS2 734/4885
US-12290519-B2 Anti-inflammatory coupling compound drug, and preparation method therefor and use thereof JAK1, TNF, CYP4A11 CXCR1 310/4885CXCR2 288/4885PTGS2 37/4885
US-20250241922-A1 ANTI-INFLAMMATORY COUPLING COMPOUND DRUG, AND PREPARATION METHOD THEREFOR AND USE THEREOF JAK1, TNF, CYP4A11 CXCR1 310/4885CXCR2 288/4885PTGS2 37/4885
US-20240197741-A1 EXTERNAL ANTI-INFLAMMATORY COUPLING COMPOUND DRUG, AND PREPARATION METHOD THEREFOR AND USE THEREOF TNF, CYP4A11, JAK1 CXCR1 824/4885CXCR2 691/4885PTGS2 36/4885

“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.