SCHEMBL2663976

SCHEMBL2663976

O=C(O)CC1C=CC(=O)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 3/20 0.41
ITGA5 P08648 3/20 0.41
ITGB3 P05106 1/20 0.41
ITGB2 P05107 1/20 0.41
ITGAV P06756 1/20 0.41
ITGA2B P08514 1/20 0.41
ITGB5 P18084 1/20 0.41
ITGAL P20701 1/20 0.41
NFKB1 P19838 6/20 0.39
NFKB2 Q00653 6/20 0.39
RELA Q04206 6/20 0.39
NLRP3 Q96P20 2/20 0.33
APEX1 P27695 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SLC6A12 P48065 2/20 0.31
SLC6A11 P48066 2/20 0.31
SLC6A13 Q9NSD5 2/20 0.31

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
SCHEMBL2663986 0.80 NFKB1 (0.37) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL10673332 0.80 ITGB3 (0.34) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL18194639 0.77 NFKB1 (0.41) NFKB1NFKB2RELANLRP3
SCHEMBL16614334 0.77 NFKB1 (0.44) NFKB1NFKB2RELANLRP3
SCHEMBL2663977 0.77 PTGS1 (0.36) NFKB1NFKB2RELATSHR
SCHEMBL16614389 0.77 NFKB1 (0.41) NFKB1NFKB2RELANLRP3ALDH1A1
SCHEMBL2663989 0.76
SCHEMBL2663978 0.72
SCHEMBL16614295 0.72 NFKB1 (0.40) NFKB1NFKB2RELANLRP3
SCHEMBL18194627 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805196-A1 SUBSTITUTED ADENINES AND THE USE THEREOF AstraZeneca AB (SE) 2007-07-11 EP disclosed
US-20070099930-A1 Substituted Dihydroisoindolones As Allosteric Modulators of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 US disclosed
WO-2006040558-A1 SUBSTITUTED ADENINES AND THE USE THEREOF ASTRAZENECA AB (SE) 2006-04-20 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 (1 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-20070099930-A1 Substituted Dihydroisoindolones As Allosteric Modulators of Glucokinase GCK, GCKR, GPR119 ITGB1 4724/4885ITGA5 4693/4885ITGB3 4776/4885

“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.