SCHEMBL6000857

SCHEMBL6000857

CCCC(CCC)c1ccc(COc2ccc(-c3csc(CN(CC(=O)O)Cc4ccccn4)n3)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.71
PTPN1 P18031 1/20 0.71
FFAR1 O14842 1/20 0.51
PPARA Q07869 3/20 0.44
PPARG P37231 2/20 0.44
MMP13 P45452 11/20 0.44
MMP2 P08253 5/20 0.44
MMP1 P03956 3/20 0.44
MMP9 P14780 3/20 0.44
MAOB P27338 1/20 0.42
ALOX5 P09917 3/20 0.40
PPARD Q03181 1/20 0.39

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
SCHEMBL6000717 0.94 PTPN2 (0.62) PTPN2PTPN1FFAR1PPARAPPARG
SCHEMBL6001017 0.91 PTPN2 (0.76) PTPN2PTPN1FFAR1PPARAPPARG
SCHEMBL5999110 0.91 PTPN2 (0.76) PTPN2PTPN1FFAR1PPARAPPARG
SCHEMBL6000626 0.88 PTPN2 (0.66) PTPN2PTPN1FFAR1PPARAMMP13
SCHEMBL6000062 0.88 PTPN2 (0.76) PTPN2PTPN1FFAR1PPARAPPARG
SCHEMBL6001065 0.88 PTPN2 (0.55) PTPN2PTPN1FFAR1PPARAPPARG
SCHEMBL6000985 0.86 PTPN2 (0.69) PTPN2PTPN1FFAR1PPARAMMP13
SCHEMBL6000707 0.86 PTPN2 (0.81) PTPN2PTPN1FFAR1PPARAPPARG
SCHEMBL6000783 0.85 PTPN2 (0.75) PTPN2PTPN1FFAR1PPARAPPARG
SCHEMBL6000492 0.85 PTPN2 (0.67) PTPN2PTPN1FFAR1PPARAMMP13

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 PTPN2 11/4885PTPN1 2/4885FFAR1 274/4885

“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.