SCHEMBL2833426

SCHEMBL2833426

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.48
ALDH1A1 P00352 3/20 0.41
TP53 P04637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GLA P06280 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX12 P18054 1/20 0.41
NFKB1 P19838 1/20 0.41
APEX1 P27695 1/20 0.41
MDM2 Q00987 10/20 0.39
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
CTRC Q99895 1/20 0.36

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
SCHEMBL2833377 0.80 CASP3 (0.54) CASP3ALDH1A1KDM4EHSD17B10MDM2
SCHEMBL18955354 0.74 CASP3 (0.48) CASP3ALDH1A1KDM4EMAPK1HSD17B10
SCHEMBL2833423 0.72 CASP3 (0.51) CASP3ALDH1A1MAPTCTRC
SCHEMBL3525847 0.71 CASP3 (0.53) CASP3ALDH1A1APEX1MDM2CTRC
SCHEMBL21685881 0.70 POLB (0.67) ALDH1A1TP53KDM4EHPGDMAPK1
SCHEMBL3094218 0.68 CASP3 (0.57) CASP3CTRC
SCHEMBL1211749 0.67 CES1 (0.60) CASP3ALDH1A1MAPTCTRC
SCHEMBL18955251 0.67 ALDH1A1 (0.75) CASP3ALDH1A1TP53HSD17B10MAPT
SCHEMBL5114613 0.66 CASP3 (0.63) CASP3ALDH1A1POLBMAPTCTRC
SCHEMBL5118034 0.66 CASP3 (1.00) CASP3ALDH1A1POLBCTRC

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 2 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

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 4494/4885ALDH1A1 774/4885TP53 710/4885
US-20100168101-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) PTPRO, PTPRE, PTPRZ1 CASP3 4475/4885ALDH1A1 798/4885TP53 729/4885

“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.