SCHEMBL4092431

SCHEMBL4092431

CCOC(=O)C(Cc1ccccc1I)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 1/20 0.39
▸ ADORA1 P30542 1/20 0.36
▸ AAK1 Q2M2I8 1/20 0.35
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ITGA4 P13612 1/20 0.34
▸ ITGB7 P26010 1/20 0.34
▸ TACR1 P25103 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ PIN1 Q13526 1/20 0.33
▸ REN P00797 1/20 0.33
▸ AKT1 P31749 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MMP8 P22894 1/20 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
SCHEMBL13799190 0.91 ALDH1A1 (0.38) MMP13ADORA1L3MBTL1ITGA4ITGB7
SCHEMBL4092235 0.91 ALDH1A1 (0.38) MMP13ADORA1L3MBTL1ITGA4ITGB7
SCHEMBL13479873 0.90 MMP13 (0.37) MMP13ADORA1AAK1NFKB1NFKB2
SCHEMBL13799189 0.88 MMP13 (0.40) MMP13ADORA1AAK1NFKB1NFKB2
SCHEMBL6600202 0.84 MMP8 (0.46) MMP13ADORA1L3MBTL1ITGA4ITGB7
SCHEMBL3161587 0.79 ITGA4 (0.42) ITGA4ITGB7RENPOLBMMP8
SCHEMBL14464224 0.79 ALDH1A1 (0.39) MMP13ADORA1L3MBTL1ITGA4ITGB7
SCHEMBL3171224 0.75 MMP8 (0.41) ALDH1A1POLBMMP8GAA
SCHEMBL27733353 0.75 CYP4F2 (0.36) L3MBTL1SMN1; SMN2TACR1PIN1ALDH1A1
SCHEMBL13799191 0.75 MMP8 (0.41) ALDH1A1POLBMMP8GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450301-B2 Piperazine compounds with a herbicidal action BASF SE (DE) 2013-05-28 — — US disclosed
US-20090156553-A1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2009-06-18 — — US disclosed
CN-101374820-A Piperazine compounds with a herbicidal action BASF SE (DE) 2009-02-25 — — CN disclosed
WO-2007077201-A9 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2008-07-31 — — 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-20090156553-A1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION DDT, CAT, CIP2A MMP13 1271/4885ADORA1 3667/4885AAK1 1798/4885

“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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