SCHEMBL1679221

SCHEMBL1679221

CCCCC(CCCC)NO

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.43
CA1 P00915 4/20 0.43
PLA2G2C Q5R387 2/20 0.41
ALDH1A1 P00352 3/20 0.40
DNM1 Q05193 2/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
FDPS P14324 1/20 0.39
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.35
DPP7 Q9UHL4 1/20 0.34

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
SCHEMBL1679051 0.95 CA2 (0.40) CA2CA1PLA2G2CALDH1A1DNM1
SCHEMBL1678453 0.95 PLA2G2C (0.43) CA2CA1PLA2G2CDNM1FDPS
SCHEMBL7596054 0.92 LMNA (0.44) CA1PLA2G2CFDPSLMNA
SCHEMBL6442867 0.89 LMNA (0.48) PLA2G2CDNM1TSHRFDPSLMNA
SCHEMBL1679088 0.89
SCHEMBL26488738 0.89 LMNA (0.48) PLA2G2CDNM1TSHRFDPSLMNA
SCHEMBL6064879 0.89 LMNA (0.48) PLA2G2CDNM1TSHRFDPSLMNA
SCHEMBL1275849 0.89 LMNA (0.48) PLA2G2CDNM1TSHRFDPSLMNA
SCHEMBL6266680 0.89 LMNA (0.48) PLA2G2CDNM1TSHRFDPSLMNA
SCHEMBL11413337 0.89 LMNA (0.48) PLA2G2CDNM1TSHRFDPSLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995029892-A1 HYDROXAMIC ACID AND AMINO ACID DERIVATIVES AND THEIR USE AS ANTI-ARTHRITIC AGENTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-11-09 WO claimed
US-7923573-B2 Benzene compound having 2 or more substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-12 US disclosed
US-20080255111-A1 Tissue Factor Production Inhibitor SANKYO COMPANY LIMITED (JP) 2008-10-16 US disclosed
US-20080004301-A1 Benzene Compound Having 2 or More Substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-01-03 US disclosed
EP-1806332-A1 BENZENE COMPOUND HAVING 2 OR MORE SUBSTITUENTS Daiichi Sankyo Company, Limited (JP) 2007-07-11 EP disclosed
EP-1764075-A1 TISSUE FACTOR PRODUCTION INHIBITOR Sankyo Company, Limited (JP) 2007-03-21 EP disclosed
US-20050020607-A1 Statin-MMP inhibitor combinations NEWTON ROGER SCHOFIELD (US) 2005-01-27 US disclosed
US-20040176393-A1 Statin-MMP inhibitor combinations NEWTON ROGER SCHOFIELD (US) 2004-09-09 US disclosed
EP-1047450-B1 ACE INHIBITOR-MMP INHIBITOR COMBINATIONS WARNER LAMBERT CO (US) 2002-10-02 EP disclosed
US-20020049237-A1 Statin-MMP inhibitor combinations NEWTON ROGER SCHOFIELD (US) 2002-04-25 US disclosed
US-6340709-B1 ADMINISTERING BIPHENYLSULFONAMIDE DERIVATIVE WARNER-LAMBERT COMPANY 2002-01-22 US disclosed
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP disclosed
EP-1063991-A1 STATIN-MATRIX METALLOPROTEINASE INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY LLC (US) 2001-01-03 EP disclosed
EP-1028716-A1 METHOD FOR TREATING AND PREVENTING HEART FAILURE AND VENTRICULAR DILATATION WARNER-LAMBERT COMPANY (US) 2000-08-23 EP disclosed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO disclosed
WO-1999047138-A1 STATIN-MATRIX METALLOPROTEINASE INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-09-23 WO disclosed
WO-1998025597-A2 METHOD FOR TREATING AND PREVENTING HEART FAILURE AND VENTRICULAR DILATATION WARNER-LAMBERT COMPANY (US) 1998-06-18 WO disclosed
WO-1995029892-A1 HYDROXAMIC ACID AND AMINO ACID DERIVATIVES AND THEIR USE AS ANTI-ARTHRITIC AGENTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-11-09 WO 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-20040176393-A1 Statin-MMP inhibitor combinations MMP9, TIMP3, MMP3 CA2 436/4885CA1 1927/4885PLA2G2C 1853/4885
US-20080255111-A1 Tissue Factor Production Inhibitor PTAFR, PLAT, TFPI CA2 4718/4885CA1 2562/4885PLA2G2C 1874/4885
US-20050020607-A1 Statin-MMP inhibitor combinations MMP9, TIMP3, MMP3 CA2 436/4885CA1 1927/4885PLA2G2C 1853/4885
US-20020049237-A1 Statin-MMP inhibitor combinations MMP9, TIMP3, MMP3 CA2 436/4885CA1 1927/4885PLA2G2C 1853/4885
US-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 CA2 4239/4885CA1 4595/4885PLA2G2C 4668/4885

“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.