SCHEMBL5151785

SCHEMBL5151785

COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 2/20 0.58
▸ HTT P42858 2/20 0.53
▸ ALDH1A1 P00352 3/20 0.49
▸ LMNA P02545 3/20 0.49
▸ POLB P06746 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ PKM P14618 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ TBXA2R P21731 3/20 0.47
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL14676725 0.85 ALPL (0.53) ALPLHTTALDH1A1LMNAPOLB
SCHEMBL16305322 0.85 ALPL (0.60) ALPLHTTALDH1A1LMNAPOLB
SCHEMBL17526121 0.81 ALDH1A1 (0.59) HTTALDH1A1LMNAPOLBL3MBTL1
SCHEMBL1098646 0.80 HTT (0.60) ALPLHTTALDH1A1LMNAPOLB
SCHEMBL2032272 0.79 HTT (0.63) ALPLHTTALDH1A1LMNAPOLB
SCHEMBL38656746 0.79 HTT (0.63) ALPLHTTALDH1A1LMNAPOLB
SCHEMBL282513 0.79 HTT (0.58) ALPLHTTALDH1A1LMNAPOLB
SCHEMBL17373258 0.79 HTT (0.58) ALPLHTTALDH1A1LMNAPOLB
SCHEMBL2243891 0.79 ALPL (0.66) ALPLHTTALDH1A1LMNAPOLB
SCHEMBL2237430 0.79 ALPL (0.66) ALPLHTTALDH1A1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312225-B2 Macrocyclic pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2007-12-25 — — US disclosed
US-7312225-B2 Macrocyclic pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2007-12-25 — — US disclosed
US-7312225-B2 Macrocyclic pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2007-12-25 — — US disclosed
EP-1530574-B1 MACROCYCLIC PYRIMIDINES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS MEDICAMENTS SCHERING AG (DE) 2006-11-22 — — EP disclosed
US-20040209895-A1 inhibit cyclin-dependent kinases and VEGF-receptor tyrosine kinases SCHERING AG (DE) 2004-10-21 — — 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-20040209895-A1 inhibit cyclin-dependent kinases and VEGF-receptor tyrosine kinases CCNK, CDK2, CDK1 ALPL 4580/4885HTT 4545/4885ALDH1A1 2715/4885

“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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