SCHEMBL5897900

SCHEMBL5897900

COC(=O)C=CC(=O)OCc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 6/20 0.74
LMNA P02545 1/20 0.65
CA12 O43570 2/20 0.59
CA4 P22748 2/20 0.59
CA6 P23280 2/20 0.59
CA5A P35218 2/20 0.59
CA7 P43166 2/20 0.59
CA9 Q16790 2/20 0.59
CA14 Q9ULX7 2/20 0.59
CA5B Q9Y2D0 2/20 0.59
AKR1B10 O60218 2/20 0.59
AKR1B1 P15121 2/20 0.59
ALDH1A1 P00352 4/20 0.56
TTR P02766 1/20 0.54
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50

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
SCHEMBL5898485 1.00 HCAR2 (0.74) HCAR2LMNACA12CA4CA6
SCHEMBL5897892 1.00 HCAR2 (0.74) HCAR2LMNACA12CA4CA6
Ammonia Solution, Strong SCHEMBL27556861 0.98 HCAR2 (0.72) HCAR2LMNACA12CA4CA6
SCHEMBL28081360 0.92 HCAR2 (0.63) HCAR2LMNACA12CA4CA6
SCHEMBL357565 0.91 HCAR2 (0.89) HCAR2LMNACA12CA4CA6
SCHEMBL337503 0.91 HCAR2 (0.89) HCAR2LMNACA12CA4CA6
SCHEMBL337504 0.91 HCAR2 (0.89) HCAR2LMNACA12CA4CA6
SCHEMBL28388377 0.89 LMNA (0.79) HCAR2LMNACA12CA4CA6
SCHEMBL17695763 0.89 HCAR2 (0.59) HCAR2LMNACA12CA4CA6
SCHEMBL27659194 0.89 HCAR2 (0.85) HCAR2LMNACA12CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12049444-B2 Monomethyl fumarate precursor drug compounds and pharmaceutical compositions thereof AGATHONBIO CO., LTD. (KR) 2024-07-30 US claimed
US-12049444-B2 Monomethyl fumarate precursor drug compounds and pharmaceutical compositions thereof AGATHONBIO CO., LTD. (KR) 2024-07-30 US disclosed
US-6984648-B2 Cyclic β-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-α BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-01-10 US disclosed
EP-1427408-A4 CYCLIC HYDROXAMIC ACIDS AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-$g(a) CONVERTING ENZYME (TACE) BRISTOL MYERS SQUIBB CO (US) 2005-10-26 EP disclosed
US-20040162426-A1 Cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha LU ZHONGHUI (US) 2004-08-19 US disclosed
EP-1427408-A2 CYCLIC HYDROXAMIC ACIDS AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-$g(a) CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-16 EP disclosed
US-6743807-B2 TREATMENT OF RHEUMATOID AND OSTEOARTHRITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, TUMOR METASTASIS OR INVASION, PERIODONTAL DISEASE AND BONE DISEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-06-01 US disclosed
US-6740649-B2 ANTIINFLAMMATORY AGENTS; OSTEOPOROSIS BRISTOL-MYERS SQUIBB COMPANY 2004-05-25 US disclosed
US-20030139388-A1 Cyclic hydroxamic acids as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2003-07-24 US disclosed
WO-2003024899-A2 CYCLIC HYDROXAMIC ACIDS AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-α CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2003-03-27 WO disclosed
EP-1263755-A2 CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA Bristol-Myers Squibb Pharma Company (US) 2002-12-11 EP disclosed
US-20020016336-A1 Cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-02-07 US disclosed
WO-2001070673-A2 CYCLIC β-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-$g(a) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-27 WO disclosed
EP-0031997-B2 POLYMERISATION PROCESS FOR PRODUCTION OF POLYMER MICROPARTICLES OF HIGH REFRACTIVE INDEX AND COATING COMPOSITIONS CONTAINING THEM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-09-14 EP disclosed
US-4427820-A STYRENE, MALEIC ACID DERIVATIVE, EMULSION POLYMERIZATION IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-01-24 US disclosed
EP-0031997-B1 POLYMERISATION PROCESS FOR PRODUCTION OF POLYMER MICROPARTICLES OF HIGH REFRACTIVE INDEX AND COATING COMPOSITIONS CONTAINING THEM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-12-28 EP disclosed
EP-0031997-A1 Polymerisation process for production of polymer microparticles of high refractive index and coating compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-07-15 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 (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-20020016336-A1 Cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha RNPEP, TNF, ANPEP HCAR2 1090/4885LMNA 2122/4885CA12 573/4885
US-20030139388-A1 Cyclic hydroxamic acids as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAMTS1, MMP1, ADAM17 HCAR2 191/4885LMNA 1599/4885CA12 61/4885
US-20040162426-A1 Cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha RNPEP, TNF, ANPEP HCAR2 1090/4885LMNA 2122/4885CA12 573/4885
US-12049444-B2 Monomethyl fumarate precursor drug compounds and pharmaceutical compositions thereof FH, FPGS, FAH HCAR2 882/4885LMNA 4154/4885CA12 3452/4885

“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.