SCHEMBL4649246

SCHEMBL4649246

COC(=O)C(CCCCN)NS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.58
MMP9 P14780 2/20 0.58
PLAU P00749 5/20 0.48
HPN P05981 4/20 0.48
TDP1 Q9NUW8 1/20 0.45
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
CA2 P00918 2/20 0.45
CA12 O43570 2/20 0.45
CA9 Q16790 2/20 0.45
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
MMP13 P45452 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
PLAT P00750 1/20 0.43
CA1 P00915 1/20 0.43
MMP1 P03956 1/20 0.43
MMP8 P22894 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
SCHEMBL4649241 1.00 MMP2 (0.58) MMP2MMP9PLAUHPNTDP1
Hydrochloric Acid SCHEMBL9122752 0.99 MMP2 (0.57) MMP2MMP9PLAUHPNTDP1
Formaldehyde SCHEMBL19520520 0.87 MMP2 (0.56) MMP2MMP9PLAUHPNTDP1
SCHEMBL6893970 0.87 MMP2 (0.61) MMP2MMP9PLAUHPNTDP1
SCHEMBL8001084 0.87 MMP9 (0.76) MMP2MMP9PLAUHPNTDP1
SCHEMBL10585071 0.87 MMP9 (0.76) MMP2MMP9PLAUHPNTDP1
SCHEMBL457772 0.87 MMP9 (0.76) MMP2MMP9PLAUHPNTDP1
Formaldehyde SCHEMBL21493269 0.86 MMP2 (0.55) MMP2MMP9PLAUHPNTDP1
Hydrochloric Acid SCHEMBL9087107 0.86 MMP9 (0.74) MMP2MMP9PLAUHPNTDP1
SCHEMBL28509074 0.86 MMP2 (0.60) MMP2MMP9PLAUHPNTDP1

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-20080312212-A1 Organic Compounds NOVARTIS AG 2008-12-18 US disclosed
EP-1966165-A1 PYRAZINE DERIVATIVES AS EPITHELIAL SODIUM CHANNEL BLOCKER Novartis AG (CH) 2008-09-10 EP disclosed
WO-2007071400-A1 PYRAZINE DERIVATIVES AS EPITHELIAL SODIUM CHANNEL BLOCKER NOVARTIS AG (CH) 2007-06-28 WO disclosed
EP-0367302-A2 Process for semi-synthesis of human insulin, water-soluble cross-linked Achromobacter protease I for use therein and a process for preparing the same WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1990-05-09 EP disclosed
EP-0092829-A2 Process for semi-synthesis of human insulin and alkaline protease for use therein WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1983-11-02 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-20080312212-A1 Organic Compounds TRPA1, TRPV1, TRPV3 MMP2 2368/4885MMP9 1584/4885PLAU 3355/4885

“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.