SCHEMBL6000537

SCHEMBL6000537

CCCC(CCC)c1ccc(COc2ccc(-c3csc(COc4cncc(C(=O)O)c4)n3)c(C)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PPARD Q03181 4/20 0.40
PPARA Q07869 2/20 0.40
FFAR1 O14842 11/20 0.38
MAPT P10636 2/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
CYP26A1 O43174 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL6001047 0.89 PTPN2 (0.57) PTPN2PTPN1PPARDPPARAFFAR1
SCHEMBL6000513 0.89 PTPN2 (0.57) PTPN2PTPN1PPARDPPARAFFAR1
SCHEMBL6000919 0.88 PTPN2 (0.57) PTPN2PTPN1PPARDPPARAFFAR1
SCHEMBL6000758 0.88 PTPN2 (0.57) PTPN2PTPN1PPARDPPARAFFAR1
SCHEMBL6000860 0.82 PTPN2 (0.48) PTPN2PTPN1PPARDPPARAFFAR1
SCHEMBL6000913 0.81 PTPN2 (0.55) PTPN2PTPN1PPARDPPARAFFAR1
SCHEMBL6000756 0.81 PTPN2 (0.55) PTPN2PTPN1PPARDPPARAFFAR1
SCHEMBL5999036 0.81 PTPN2 (0.46) PTPN2PTPN1PPARDPPARAMAPT
SCHEMBL6000652 0.81 PTPN2 (0.54) PTPN2PTPN1PPARDPPARAMAPT
SCHEMBL6001098 0.80 PTPN2 (0.50) PTPN2PTPN1PPARDPPARAFFAR1

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 2/4885PPARD 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.