SCHEMBL2833377

SCHEMBL2833377

CC(C(=O)O)N1C(=O)C(=O)c2cc(I)ccc21

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.54
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
KMT2A Q03164 1/20 0.46
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
CSNK2A1 P68400 1/20 0.44
DNMT1 P26358 1/20 0.38
MDM2 Q00987 1/20 0.38
PDE5A O76074 1/20 0.38
ACHE P22303 1/20 0.38
HSD17B10 Q99714 1/20 0.37
CTRC Q99895 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL18955354 0.82 CASP3 (0.48) CASP3KDM4EKMT2ADNMT1PDE5A
SCHEMBL2480595 0.82 ALDH3A1 (0.47) KDM4EGAACASP1CASP7KMT2A
SCHEMBL18954664 0.82 KDM4E (0.46) CASP3KDM4EGAACASP1CASP7
SCHEMBL18954629 0.80 KDM4E (0.44) CASP3KDM4EGAACASP1CASP7
SCHEMBL2833426 0.80 CASP3 (0.48) CASP3KDM4EMDM2HSD17B10CTRC
SCHEMBL18954672 0.79 KDM4E (0.43) KDM4EGAACASP1CASP7KMT2A
SCHEMBL18955246 0.79 CA1 (0.49) KDM4EGAACASP1CASP7KMT2A
SCHEMBL18954671 0.79 KDM4E (0.43) CASP3KDM4EGAACASP1CASP7
SCHEMBL18974288 0.78 KMT2A (0.61) KDM4EGAACASP1CASP7KMT2A
SCHEMBL281623 0.78 KMT2A (0.61) KDM4EGAACASP1CASP7KMT2A

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
US-20100168101-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2010-07-01 US claimed
US-20050043388-A1 Oxindole hydrazide modulators of protein tyrosine phosphatases (ptps) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. 2005-02-24 US claimed
US-20100168101-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2010-07-01 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 (2 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-20050043388-A1 Oxindole hydrazide modulators of protein tyrosine phosphatases (ptps) PTPRO, PTPRE, PTPRZ1 CASP3 4494/4885KDM4E 2215/4885GAA 2360/4885
US-20100168101-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) PTPRO, PTPRE, PTPRZ1 CASP3 4475/4885KDM4E 2146/4885GAA 2377/4885

“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.