SCHEMBL5577849

SCHEMBL5577849

O=C(O)c1cc(SSc2cc(C(=O)O)c([N+](=O)[O-])c(N3C(=O)CCC3=O)c2)cc(N2C(=O)CCC2=O)c1[N+](=O)[O-].O=C(O)c1cc(Sc2ccc([N+](=O)[O-])c(C(=O)O)c2)ccc1[N+](=O)[O-].O=C(O)c1cc(Sc2ccc([N+](=O)[O-])c(C(=O)O)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 1/20 0.57
MAPT P10636 5/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 3/20 0.36
PKM P14618 3/20 0.36
GAA P10253 3/20 0.36
LMNA P02545 3/20 0.36
POLB P06746 4/20 0.34
PDE7A Q13946 1/20 0.33
TSHR P16473 1/20 0.33
BCL2L1 Q07817 1/20 0.32
CASP6 P55212 2/20 0.32
KDM4E B2RXH2 2/20 0.32
APEX1 P27695 2/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTT P42858 1/20 0.31

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
SCHEMBL4204234 0.89 DTYMK (0.46) DTYMKMAPTMEN1KMT2AALDH1A1
SCHEMBL1464495 0.89 DTYMK (0.46) DTYMKMAPTMEN1KMT2AALDH1A1
SCHEMBL504562 0.78 DTYMK (0.81) DTYMKMAPTMEN1KMT2AALDH1A1
SCHEMBL143541 0.75 DTYMK (1.00) DTYMKMAPTMEN1KMT2AALDH1A1
SCHEMBL26775 0.75 DTYMK (1.00) DTYMKMAPTMEN1KMT2AALDH1A1
SCHEMBL29353295 0.75 DTYMK (1.00) DTYMKMAPTMEN1KMT2AALDH1A1
SCHEMBL8577281 0.74 DTYMK (0.97) DTYMKMAPTMEN1KMT2AALDH1A1
SCHEMBL29388000 0.74 DTYMK (0.97) DTYMKMAPTMEN1KMT2AALDH1A1
SCHEMBL10346200 0.73 DTYMK (0.71) DTYMKMAPTMEN1KMT2AALDH1A1
SCHEMBL3729139 0.72 TSHR (0.46) MAPTMEN1KMT2AALDH1A1PKM

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-20070191281-A1 Compound containing a labile disulfide bond ROCHE MADISON INC. 2007-08-16 US disclosed
US-20070010004-A1 Micellar systems ROCHE MADISON INC. 2007-01-11 US disclosed
US-7087770-B2 Compound containing a labile disulfide bond MIRUS BIO CORPORATION (US) 2006-08-08 US disclosed
US-6936729-B2 Compound containing a labile disulfide bond MIRUS BIO CORPORATION (US) 2005-08-30 US disclosed
US-20050020518-A9 Compound containing a labile disulfide bond ROCHE MADISON INC. 2005-01-27 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 (3 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-20070010004-A1 Micellar systems POLRMT, NSUN3, NSUN2 DTYMK 409/4885MAPT 2390/4885MEN1 439/4885
US-20070191281-A1 Compound containing a labile disulfide bond P4HB, HSF1, ATF4 DTYMK 1423/4885MAPT 3526/4885MEN1 4467/4885
US-20050020518-A9 Compound containing a labile disulfide bond P4HB, HSF1, ATF4 DTYMK 1423/4885MAPT 3526/4885MEN1 4467/4885

“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.