SCHEMBL2663995

SCHEMBL2663995

CS(=O)(=O)OCCC1C=CC(=O)C1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NFKB1 P19838 3/20 0.33
▸ NFKB2 Q00653 3/20 0.33
▸ RELA Q04206 3/20 0.33

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 — —
SCHEMBL461954 0.70 USP2 (0.42) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL2663994 0.70 NFKB1 (0.32) NFKB1NFKB2RELA
SCHEMBL18187862 0.70 DUT (0.35) NFKB1NFKB2RELA
SCHEMBL18187861 0.70 DUT (0.35) NFKB1NFKB2RELA
SCHEMBL2663978 0.69 — —
SCHEMBL18415033 0.68 NFKB1 (0.57) KDM4EALDH1A1NFKB1NFKB2RELA
SCHEMBL28931387 0.68 KDM4E (0.38) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL2663971 0.68 — —

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 KDM4E 1206/4885USP2 3149/4885ALDH1A1 1552/4885

“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.

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