SCHEMBL2193271

SCHEMBL2193271

[CH2]c1oc(=O)oc1CCCCC

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.35
MAPT P10636 1/20 0.32
CDC25A P30304 6/20 0.32
CDC25B P30305 6/20 0.32
CDC25C P30307 5/20 0.32
ACHE P22303 1/20 0.32
BACE1 P56817 1/20 0.32
TYR P14679 1/20 0.31
CA2 P00918 1/20 0.31
ALOX15 P16050 1/20 0.30

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
SCHEMBL7509115 0.98 PPARG (0.37) PPARGMAPTCDC25ACDC25BCDC25C
SCHEMBL451036 0.85
SCHEMBL7137786 0.80 PPARG (0.35) PPARGMAPTCDC25ACDC25BCDC25C
SCHEMBL2107621 0.78 CTRC (0.39) PPARGMAPTCA2
SCHEMBL1080657 0.78 PPARG (0.35) PPARGMAPTCDC25ACDC25BCDC25C
SCHEMBL10701592 0.76 PPARG (0.35) PPARGMAPTCDC25ACDC25BCDC25C
SCHEMBL31406633 0.76 PPARG (0.35) PPARGMAPTCDC25ACDC25BCDC25C
SCHEMBL31406602 0.74 PPARG (0.37) PPARGMAPTCDC25ACDC25BCDC25C
SCHEMBL31406624 0.74 PPARG (0.37) PPARGMAPTCDC25ACDC25BCDC25C
SCHEMBL7514099 0.73 PPARG (0.33) PPARGMAPTCDC25ACDC25BCDC25C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150025056-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES INCYTE CORPORATION (US) 2015-01-22 US claimed
US-20110224189-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES INCYTE CORPORATION 2011-09-15 US claimed
US-20080167288-A1 Substituted cyclic hydroxamates as lnhibitors of matrix metalloproteinases LNCYTE CORPORATION (US) 2008-07-10 US claimed
US-7125870-B2 Isoxazoline derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-24 US claimed
US-7122560-B2 Lactam derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-17 US claimed
US-7102008-B2 Hydantoin derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-05 US claimed
US-7015217-B2 Cyclic sulfone derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2006-03-21 US claimed
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 claimed
US-6962938-B2 Spiro-cyclic β-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-08 US claimed
US-6927216-B2 Cyclic sulfonyl compounds as inhibitors of metalloproteases BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-08-09 US claimed
US-20020042398-A1 Novel lactam metalloprotease inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-04-11 US claimed
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 claimed
US-20020013341-A1 Beta-Amino-Acid derivatives as inhibitors of matrix metalloproteases and TNF-Alpha BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-01-31 US claimed
EP-0863885-A2 NOVEL MACROCYCLIC COMPOUNDS AS METALLOPROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-09-16 EP claimed
US-5739163-A ANTICOAGULANTS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-14 US claimed
US-5691329-A Compounds containing basic and acidic termini useful as fibrinogen receptor antagonists THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-11-25 US claimed
US-5681951-A REACTING PENICILLIN DERIVATIVE HAVING SULFINYL OR SULFONYL GROUP IN 2 POSITION WITH SUBSTITUTED MERCAPTAN IN PRESENCE OF SALT OF GROUP IIA OR IIIA ELEMENT SANKYO COMPANY, LIMITED (JP) 1997-10-28 US claimed
WO-1997018207-A2 NOVEL MACROCYCLIC COMPOUNDS AS METALLOPROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-05-22 WO claimed
US-5563158-A CARDIOVASCULAR DISORDERS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-10-08 US claimed
WO-1995018111-A1 COMPOUNDS CONTAINING BASIC AND ACIDIC TERMINI USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-07-06 WO claimed

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-20020016336-A1 Cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha RNPEP, TNF, ANPEP PPARG 4804/4885MAPT 4471/4885CDC25A 605/4885
US-20110224189-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES MMP25, MMP14, MMP9 PPARG 3335/4885MAPT 2590/4885CDC25A 505/4885
US-20020042398-A1 Novel lactam metalloprotease inhibitors ADAM9, ADAM8, ADAM17 PPARG 4877/4885MAPT 4280/4885CDC25A 1268/4885
US-20150025056-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES MMP25, MMP2, MMP14 PPARG 3325/4885MAPT 2732/4885CDC25A 351/4885
US-20020013341-A1 Beta-Amino-Acid derivatives as inhibitors of matrix metalloproteases and TNF-Alpha TNF, XPNPEP1, MMP2 PPARG 4622/4885MAPT 3487/4885CDC25A 675/4885
US-20080167288-A1 Substituted cyclic hydroxamates as lnhibitors of matrix metalloproteinases MMP25, MMP9, MMP24 PPARG 2440/4885MAPT 3223/4885CDC25A 329/4885

“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.