SCHEMBL4381872

SCHEMBL4381872

C=CCOC(=O)N(Cc1ccc(-c2c(CC(=O)OC)cc(OCOC)cc2OCOC)o1)S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 2/20 0.34
MAPT P10636 4/20 0.33
MEN1 O00255 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
SCHEMBL4381875 0.80 LMNA (0.33) LMNAALDH1A1POLBNPSR1KMT2A
SCHEMBL4389554 0.76 ERN1 (0.34)
SCHEMBL4386984 0.72 CYP3A4 (0.35) ALDH1A1
SCHEMBL4379079 0.71 ALDH1A1 (0.36) ALDH1A1POLBKMT2AMAPTMEN1
SCHEMBL4379012 0.70 HDAC3 (0.34) ALDH1A1MAPT
SCHEMBL4382486 0.69 MTNR1A (0.34) ALDH1A1
SCHEMBL4387636 0.68 ALDH1A1 (0.35) ALDH1A1POLBMAPT
SCHEMBL4386950 0.68 ALDH1A1 (0.37) ALDH1A1POLBKMT2AMAPTMEN1
SCHEMBL4378177 0.67 ALDH1A1 (0.37) LMNAALDH1A1POLBMAPT
SCHEMBL4387307 0.66 ALDH1A1 (0.36) ALDH1A1POLBKMT2AMAPTMEN1

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-7538241-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070155813-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-07-05 US disclosed
EP-1704856-A1 HSP90 FAMILY PROTEIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-27 EP 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-20070155813-A1 Hsp90 family protein inhibitors HSP90AB1, HEATR1, HSP90AB2P LMNA 4706/4885ALDH1A1 3520/4885POLB 3913/4885

“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.