SCHEMBL6000444

SCHEMBL6000444

CCC(CC)c1ccc(N(Cc2ccc(-c3csc(CN(C)c4ccc(OCC(=O)O)c(C(=O)O)c4)n3)cc2)C(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 14/20 0.44
PPARD Q03181 4/20 0.39
PPARA Q07869 2/20 0.39
PTPN2 P17706 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL6000460 0.87 PTPN1 (0.40) PTPN1PPARDPPARAPTPN2MEN1
SCHEMBL6000244 0.83 PTPN1 (0.56) PTPN1PPARDPPARAPTPN2
SCHEMBL6000167 0.77 PTPN1 (0.49) PTPN1PPARDPPARAPTPN2
SCHEMBL6000635 0.76 PTPN1 (0.49) PTPN1PPARAPTPN2MEN1
SCHEMBL6000472 0.76 PTPN1 (0.41) PTPN1PPARDPPARAPTPN2
SCHEMBL4726316 0.76 PTPN1 (0.38) PTPN1PTPN2MEN1
SCHEMBL4726976 0.76 PTPN1 (0.36) PTPN1PTPN2MEN1
SCHEMBL6000020 0.76 PTPN1 (0.48) PTPN1PPARDPPARAPTPN2
SCHEMBL6000424 0.76 PTPN1 (0.41) PTPN1PTPN2MEN1
SCHEMBL6000958 0.75 PTPN1 (0.44) PTPN1PPARDPPARAPTPN2MEN1

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 2/4885PPARD 848/4885PPARA 741/4885

“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.