SCHEMBL2663994

SCHEMBL2663994

O=C1C=CC(CCS(=O)(=O)O)C1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
NLRP3 Q96P20 1/20 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
SCHEMBL6440087 0.72
SCHEMBL2663972 0.72
SCHEMBL2663976 0.67 ITGB1 (0.41) NFKB1NFKB2RELANLRP3
SCHEMBL2845437 0.67 CYP1A2 (0.42) NFKB1NFKB2RELANLRP3
SCHEMBL17189143 0.63 NLRP3 (0.57) NFKB1NFKB2RELANLRP3
Benzoquinone SCHEMBL9318388 0.61 BLM (0.47) NFKB1
SCHEMBL13786901 0.59 ALDH1A1 (0.36)
SCHEMBL522686 0.59
SCHEMBL8899943 0.59 NFKB1 (0.38) NFKB1NFKB2RELANLRP3
SCHEMBL727479 0.59

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099930-A1 Substituted Dihydroisoindolones As Allosteric Modulators of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 US 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 NFKB1 630/4885NFKB2 602/4885RELA 511/4885

“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.