SCHEMBL4599520

SCHEMBL4599520

O=C(O)c1ccccc1S(=O)(=O)Oc1ccccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
TSHR P16473 2/20 0.47
KMT2A Q03164 6/20 0.46
MEN1 O00255 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
ESR2 Q92731 1/20 0.45
ALDH1A1 P00352 5/20 0.45
HTT P42858 1/20 0.45
HPGD P15428 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
GSK3B P49841 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL11134429 0.84 KMT2A (0.59) POLBKMT2AMEN1TDP1ALDH1A1
SCHEMBL28686234 0.78 KMT2A (0.52) POLBTSHRKMT2AMEN1TDP1
SCHEMBL3194681 0.78 POLB (0.74) POLBTSHRKMT2AMEN1TDP1
SCHEMBL9263396 0.76 ESR2 (0.62) POLBTSHRKMT2AMEN1TDP1
SCHEMBL6749821 0.75 KMT2A (0.53) POLBKMT2AMEN1ESR2ALDH1A1
SCHEMBL9058253 0.74 HPGD (0.49) POLBKMT2AMEN1ALDH1A1HPGD
SCHEMBL9058254 0.74 HPGD (0.49) POLBKMT2AMEN1ALDH1A1HPGD
SCHEMBL3943250 0.74 ALDH1A1 (0.56) KMT2AMEN1TDP1ESR2ALDH1A1
SCHEMBL3943254 0.74 ALDH1A1 (0.56) KMT2AMEN1TDP1ESR2ALDH1A1
SCHEMBL11569096 0.74 ALDH1A1 (0.49) KMT2AMEN1TDP1ESR2ALDH1A1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7271195-B2 Carbonyl compounds as inhibitors of histone deacetylase for the treatment of disease KALYPSYS, INC. (US) 2007-09-18 US claimed
EP-1635800-A2 CARBONYL COMPOUNDS AS INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2006-03-22 EP claimed
US-20050026907-A1 Carbonyl compounds as inhibitors of histone deacetylase for the treatment of disease KALYPSYS, INC. (US) 2005-02-03 US claimed
WO-2004110418-A2 CARBONYL COMPOUNDS AS INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2004-12-23 WO claimed
US-7470722-B2 Multicyclic sulfonamide compounds as inhibitors of histone deacetylase for the treatment of disease KALYPSYS, INC. (US) 2008-12-30 US disclosed
US-20080194681-A1 Novel Inhibitors of Histone Deacetylase for the Treatment of Disease KALYPSYS, INC. (US) 2008-08-14 US disclosed
WO-2008073733-A1 SALTS OF INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-06-19 WO disclosed
US-7381749-B2 Sulfonamides as inhibitors of histone deacetylase for the treatment of disease KALYPSYS, INC. (US) 2008-06-03 US disclosed
EP-1910342-A1 MULTICYCLIC SULFONAMIDE COMPOUNDS AS INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2008-04-16 EP disclosed
US-7271195-B2 Carbonyl compounds as inhibitors of histone deacetylase for the treatment of disease KALYPSYS, INC. (US) 2007-09-18 US disclosed
EP-1819669-A2 NOVEL INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2007-08-22 EP disclosed
US-20070135431-A1 INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC (US) 2007-06-14 US disclosed
WO-2006063294-A2 NOVEL INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2006-06-15 WO disclosed
EP-1635800-A2 CARBONYL COMPOUNDS AS INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2006-03-22 EP disclosed
US-20060030543-A1 Multicyclic sulfonamide compounds as inhibitors of histone deacetylase for the treatment of disease KALYPSYS, INC. 2006-02-09 US disclosed
US-20060030554-A1 Novel sulfonamides as inhibitors of histone deacetylase for the treatment of disease KALYPSYS, INC. 2006-02-09 US disclosed
WO-2005123089-A2 MULTICYCLIC SULFONAMIDE COMPOUNDS AS INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2005-12-29 WO disclosed
WO-2005120515-A2 NOVEL SULFONAMIDES AS INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2005-12-22 WO disclosed
US-20050026907-A1 Carbonyl compounds as inhibitors of histone deacetylase for the treatment of disease KALYPSYS, INC. (US) 2005-02-03 US disclosed
WO-2004110418-A2 CARBONYL COMPOUNDS AS INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2004-12-23 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 (5 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-20060030543-A1 Multicyclic sulfonamide compounds as inhibitors of histone deacetylase for the treatment of disease HDAC6, HDAC3, HDAC5 POLB 598/4885TSHR 2489/4885KMT2A 33/4885
US-20070135431-A1 INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE HDAC6, HDAC1, HDAC3 POLB 577/4885TSHR 2224/4885KMT2A 52/4885
US-20050026907-A1 Carbonyl compounds as inhibitors of histone deacetylase for the treatment of disease HDAC6, HDAC5, HDAC1 POLB 1046/4885TSHR 3277/4885KMT2A 64/4885
US-20060030554-A1 Novel sulfonamides as inhibitors of histone deacetylase for the treatment of disease HDAC6, HDAC3, HDAC5 POLB 1148/4885TSHR 1656/4885KMT2A 50/4885
US-20080194681-A1 Novel Inhibitors of Histone Deacetylase for the Treatment of Disease HDAC1, HDAC10, HDAC6 POLB 956/4885TSHR 3237/4885KMT2A 206/4885

“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.