SCHEMBL2168980

SCHEMBL2168980

CCOC(=O)COC(O)CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
ALDH1A1 P00352 3/20 0.43
TRPA1 O75762 1/20 0.43
TSHR P16473 2/20 0.39
CYP1A2 P05177 1/20 0.38
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
ALOX15 P16050 1/20 0.36
SOAT1 P35610 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
NLRP3 Q96P20 3/20 0.35
KMT2A Q03164 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 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
SCHEMBL2675052 0.83 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL10907242 0.83 ALDH1A1 (0.36) ALDH1A1TSHRLMNA
SCHEMBL9848230 0.82 GAA (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL10837934 0.80 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL13349132 0.78 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3248904 0.77 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11797072 0.77 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL21578793 0.76 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11429024 0.76 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2169435 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324177-B2 Triterpene compositions and methods for use thereof RESEARCH DEVELOPMENT FOUNDATION (US) 2012-12-04 US disclosed
US-20110294752-A1 TRITERPENE COMPOSITIONS AND METHODS FOR USE THEREOF RESEARCH DEVELOPMENT FOUNDATION (US) 2011-12-01 US disclosed
EP-1079824-B1 TRITERPENE COMPOSITIONS AND METHODS FOR USE THEREOF RES DEV FOUNDATION (US) 2011-08-31 EP disclosed
US-7985435-B2 Triterpene compositions and methods for use thereof RESEARCH DEVELOPMENT FOUNDATION (US) 2011-07-26 US disclosed
US-20100189824-A1 TRITERPENE COMPOSITIONS AND METHODS FOR USE THEREOF ARNTZEN CHARLES J 2010-07-29 US disclosed
US-7670632-B2 Triterpene compositions and methods for use thereof RESEARCH DEVELOPMENT FOUNDATION (US) 2010-03-02 US disclosed
EP-1355642-A4 INHIBITION OF NF-(k)B BY TRITERPENE COMPOSITIONS RES DEV FOUNDATION (US) 2007-04-04 EP disclosed
US-7105186-B2 Triterpene compositions and methods for use thereof RESEARCH DEVELOPMENT FOUNDATION (US) 2006-09-12 US disclosed
US-20060148732-A1 Inhibition of NF-kappaB by triterpene compositions RESEARCH DEVELOPMENT FOUNDATION 2006-07-06 US disclosed
US-20060073222-A1 Triterpene compositions and methods for use thereof ARNTZEN CHARLES J 2006-04-06 US disclosed
US-20030054052-A1 Triterpene compositions and methods for use thereof RESEARCH DEVELOPMENT FOUNDATION 2003-03-20 US disclosed
US-20030039705-A1 Triterpene compositions and methods for use thereof RESEARCH DEVELOPMENT FOUNDATION 2003-02-27 US disclosed
US-20030031738-A1 Triterpene compositions and methods for use thereof RESEARCH DEVELOPMENT FOUNDATION (US) 2003-02-13 US disclosed
US-6444233-B1 ANTITUMOR AGENTS RESEARCH DEVELOPMENT FOUNDATION 2002-09-03 US disclosed
WO-2002055016-A2 INHIBITION OF NF-λB BY TRITERPENE COMPOSITIONS RES DEV FOUNDATION (US) 2002-07-18 WO disclosed
US-5728685-A SELECTIN RECEPTORS FOR INFLAMMATION MODULATORS GLYCOMED INCORPORATED (US) 1998-03-17 US disclosed
EP-0743951-A4 SUBSTITUTED LACTOSE DERIVATIVES AS CELL ADHESION INHIBITORS GLYCOMED INC (US) 1997-03-19 EP disclosed
US-5591835-A BIND TO RECEPTORS AND MODULATE INFLAMMATION, CANCER, AND RELATED DISEASES BY MODULATING CELL-CELL ADHESION EVENTS GLYCOMED INCORPORATED (US) 1997-01-07 US disclosed
EP-0743951-A1 SUBSTITUTED LACTOSE DERIVATIVES AS CELL ADHESION INHIBITORS GLYCOMED INCORPORATED (US) 1996-11-27 EP disclosed
WO-1995021180-A1 SUBSTITUTED LACTOSE DERIVATIVES AS CELL ADHESION INHIBITORS GLYCOMED INCORPORATED (US) 1995-08-10 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 (7 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-20110294752-A1 TRITERPENE COMPOSITIONS AND METHODS FOR USE THEREOF OSTC, ACACA, NFATC1 GAA 331/4885MGAM 549/4885SI 16/4885
US-20100189824-A1 TRITERPENE COMPOSITIONS AND METHODS FOR USE THEREOF OSTC, ACACA, NFATC1 GAA 331/4885MGAM 549/4885SI 16/4885
US-20030031738-A1 Triterpene compositions and methods for use thereof OSTC, ACACA, NFATC1 GAA 331/4885MGAM 549/4885SI 16/4885
US-20030039705-A1 Triterpene compositions and methods for use thereof BAX, CASP3, ACACA GAA 1798/4885MGAM 2237/4885SI 33/4885
US-20060148732-A1 Inhibition of NF-kappaB by triterpene compositions NFKBIA, NFKB2, RELA GAA 2291/4885MGAM 2515/4885SI 177/4885
US-20060073222-A1 Triterpene compositions and methods for use thereof OSTC, ACACA, NFATC1 GAA 331/4885MGAM 549/4885SI 16/4885
US-20030054052-A1 Triterpene compositions and methods for use thereof OSTC, ACACA, NFATC1 GAA 331/4885MGAM 549/4885SI 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.