SCHEMBL6000153

SCHEMBL6000153

CCCC(CCC)c1ccc(OCc2ccc(-c3ccc(CN(CC(=O)O)c4nc5ccccc5s4)s3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.49
PTPN1 P18031 1/20 0.49
PPARD Q03181 9/20 0.43
PPARG P37231 7/20 0.43
PPARA Q07869 4/20 0.41
NR4A2 P43354 1/20 0.38
PKM P14618 1/20 0.36
FFAR1 O14842 1/20 0.35
CYSLTR2 Q9NS75 2/20 0.35
CYSLTR1 Q9Y271 2/20 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
SCHEMBL6000009 0.83 PTPN2 (0.56) PTPN2PTPN1PPARDPPARGPPARA
SCHEMBL6000866 0.81 PTPN1 (0.52) PTPN2PTPN1PPARGPPARANR4A2
SCHEMBL5998999 0.81 PTPN1 (0.49) PTPN2PTPN1NR4A2FFAR1
SCHEMBL6000614 0.81 PTPN1 (0.51) PTPN2PTPN1PPARGPPARANR4A2
SCHEMBL5999082 0.81 PTPN2 (0.54) PTPN2PTPN1PPARGPPARANR4A2
SCHEMBL5999256 0.81 PTPN2 (0.46) PTPN2PTPN1NR4A2PKMFFAR1
SCHEMBL5999254 0.79 PTPN2 (0.52) PTPN2PTPN1PPARGPPARANR4A2
SCHEMBL5999730 0.79 PTPN1 (0.44) PTPN2PTPN1PPARGPPARANR4A2
SCHEMBL5999197 0.79 PTPN2 (0.51) PTPN2PTPN1NR4A2FFAR1
SCHEMBL5999189 0.79 PTPN2 (0.47) PTPN2PTPN1NR4A2FFAR1

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.