SCHEMBL6000728

SCHEMBL6000728

CCCC(CCC)c1ccc(OCc2ccc(-c3csc(CN(CC(=O)O)S(=O)(=O)N(C)c4ccccc4)c3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.46
PTPN2 P17706 1/20 0.46
KEAP1 Q14145 2/20 0.39
NFE2L2 Q16236 1/20 0.38
PTPN12 Q05209 1/20 0.38
PTPN22 Q9Y2R2 1/20 0.38
GYS1 P13807 1/20 0.38
MAOB P27338 4/20 0.38
FFAR1 O14842 4/20 0.38
ADAMTS4 O75173 3/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.35

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
SCHEMBL6000885 0.84 PTPN1 (0.47) PTPN1PTPN2KEAP1NFE2L2MAOB
SCHEMBL6000735 0.83 PTPN1 (0.44) PTPN1PTPN2KEAP1NFE2L2PTPN12
SCHEMBL6000703 0.80 PTPN1 (0.47) PTPN1PTPN2PTPN12PTPN22MAOB
SCHEMBL6000712 0.79 PTPN1 (0.50) PTPN1PTPN2FFAR1
SCHEMBL5999776 0.79 PTPN1 (0.52) PTPN1PTPN2MAOBFFAR1
SCHEMBL6000800 0.79 PTPN1 (0.55) PTPN1PTPN2GYS1MAOBFFAR1
SCHEMBL6000193 0.78 PTPN1 (0.52) PTPN1PTPN2PTPN12PTPN22MAOB
SCHEMBL6000487 0.77 PTPN1 (0.47) PTPN1PTPN2GYS1MAOBFFAR1
SCHEMBL5998980 0.77 PTPN1 (0.47) PTPN1PTPN2GYS1MAOBFFAR1
SCHEMBL6000830 0.76 PTPN2 (0.52) PTPN1PTPN2FFAR1ADAMTS4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-06-08 US claimed
EP-1553091-A1 HETEROAROMATIC PENTACYCLIC COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-07-13 EP claimed
US-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-06-08 US disclosed
EP-1553091-A1 HETEROAROMATIC PENTACYCLIC COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-07-13 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-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof PTPN11, PTPN1, PTPN3 PTPN1 2/4885PTPN2 11/4885KEAP1 2933/4885

“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.