SCHEMBL6000244

SCHEMBL6000244

CCCC(CCC)c1ccc(OCc2ccc(-c3csc(CN(C)c4ccc(OCC(=O)O)c(C(=O)O)c4)n3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.56
PTPN2 P17706 1/20 0.56
PPARD Q03181 7/20 0.46
PPARA Q07869 3/20 0.46
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
CYP26A1 O43174 1/20 0.36
CYP3A4 P08684 1/20 0.36
FFAR1 O14842 1/20 0.35
ALOX5 P09917 1/20 0.35
PSEN1 P49768 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
SCHEMBL6000444 0.83 PTPN1 (0.44) PTPN1PTPN2PPARDPPARA
SCHEMBL6000216 0.79 PTPN2 (0.55) PTPN1PTPN2PPARDPPARAMMP1
SCHEMBL6000688 0.79 PTPN2 (0.55) PTPN1PTPN2PPARDPPARAMMP1
SCHEMBL5999666 0.79 PTPN2 (0.58) PTPN1PTPN2PPARDPPARAMMP1
SCHEMBL6000939 0.78 PTPN2 (0.60) PTPN1PTPN2PPARDPPARAMMP1
SCHEMBL6000492 0.78 PTPN2 (0.67) PTPN1PTPN2PPARDPPARAMMP1
SCHEMBL6000642 0.77 PTPN2 (0.61) PTPN1PTPN2PPARDPPARAALOX5
SCHEMBL6000946 0.77 PTPN2 (0.61) PTPN1PTPN2PPARDPPARAALOX5
SCHEMBL6000934 0.76 PTPN2 (0.61) PTPN1PTPN2PPARDPPARAMMP1
SCHEMBL6001017 0.76 PTPN2 (0.76) PTPN1PTPN2PPARAMMP1MMP2

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 11/4885PPARD 848/4885

“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.