SCHEMBL681532

SCHEMBL681532

CCCS(=O)(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.62
GAA P10253 1/20 0.62
HTT P42858 1/20 0.62
MEN1 O00255 2/20 0.60
CA2 P00918 2/20 0.58
CA5A P35218 1/20 0.58
CYP19A1 P11511 1/20 0.55
CA1 P00915 1/20 0.54
MMP1 P03956 1/20 0.54
MMP2 P08253 1/20 0.54
MMP9 P14780 1/20 0.54
MMP8 P22894 1/20 0.54
MMP13 P45452 1/20 0.54
MAPT P10636 2/20 0.53
IRAK4 Q9NWZ3 1/20 0.52
LMNA P02545 3/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 2/20 0.50

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
SCHEMBL4161667 0.91 KMT2A (0.58) KMT2AGAAHTTMEN1CA2
SCHEMBL27950143 0.90 KMT2A (0.70) KMT2AGAAHTTMEN1CA2
SCHEMBL2876686 0.88 KMT2A (0.68) KMT2AGAAHTTMEN1CA2
Potassium Ion SCHEMBL3924936 0.85 KMT2A (0.64) KMT2AGAAHTTMEN1CA2
SCHEMBL681535 0.84 KMT2A (0.58) KMT2AGAAHTTMEN1CA2
SCHEMBL854154 0.84 KMT2A (0.62) KMT2AGAAHTTMEN1CA2
SCHEMBL7031854 0.84 KMT2A (0.62) KMT2AGAAHTTMEN1CA2
SCHEMBL2877775 0.83 KMT2A (0.57) KMT2AGAAHTTMEN1CA2
SCHEMBL15272469 0.81 KMT2A (0.58) KMT2AGAAHTTMEN1CA2
SCHEMBL28121364 0.81 KMT2A (0.58) KMT2AGAAHTTMEN1CA2

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-20130122050-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE DIAKINE THERAPEUTICS, INC. (US) 2013-05-16 US disclosed
US-20110052625-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE DIAKINE THERAPEUTICS, INC. (US) 2011-03-03 US disclosed
US-20090269313-A1 ENCAPSULATION SYSTEM DIAKINE THERAPEUTICS, INC. (US) 2009-10-29 US disclosed
US-20080300189-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RESTORING BETA-CELL MASS AND FUNCTION DIAKINE THERAPEUTICS, INC. (US) 2008-12-04 US disclosed
US-7393827-B2 Pharmaceutical compositions and methods for restoring β-cell mass and function DIAKINE THERAPEUTICS, INC. (US) 2008-07-01 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 (4 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-20130122050-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE IAPP, LITAF, IGF2BP1 KMT2A 3777/4885GAA 1813/4885HTT 3645/4885
US-20110052625-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE IAPP, LITAF, IGF2BP1 KMT2A 3814/4885GAA 1387/4885HTT 3569/4885
US-20090269313-A1 ENCAPSULATION SYSTEM GPR119, IAPP, LIPA KMT2A 2154/4885GAA 2018/4885HTT 2368/4885
US-20080300189-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RESTORING BETA-CELL MASS AND FUNCTION IAPP, PNLIP, AMY2A KMT2A 4791/4885GAA 719/4885HTT 2370/4885

“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.