SCHEMBL6000855

SCHEMBL6000855

CCCC(CCC)c1ccc(OCc2ccc(-c3ccc(CN(CC(=O)O)Cc4ccc(SC)cc4)s3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.52
PTPN2 P17706 1/20 0.52
PPARG P37231 5/20 0.39
PPARA Q07869 4/20 0.39
FFAR1 O14842 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NR4A2 P43354 1/20 0.37
OPRK1 P41145 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
GYS1 P13807 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
MAOB P27338 1/20 0.34
SLC10A2 Q12908 1/20 0.33
BCHE P06276 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
SCHEMBL6000625 0.91 PTPN2 (0.54) PTPN1PTPN2PPARGPPARAFFAR1
SCHEMBL6000708 0.85 PTPN2 (0.51) PTPN1PTPN2PPARGPPARANR4A2
SCHEMBL6000800 0.84 PTPN1 (0.55) PTPN1PTPN2PPARGPPARAFFAR1
SCHEMBL5999197 0.84 PTPN2 (0.51) PTPN1PTPN2FFAR1NR4A2
SCHEMBL6000866 0.83 PTPN1 (0.52) PTPN1PTPN2PPARGPPARAFFAR1
SCHEMBL6000222 0.83 PTPN1 (0.76) PTPN1PTPN2PPARGPPARAFFAR1
SCHEMBL5999081 0.82 PTPN1 (0.52) PTPN1PTPN2PPARGPPARAFFAR1
SCHEMBL6000228 0.82 PTPN1 (0.49) PTPN1PTPN2FFAR1NR4A2MAOB
SCHEMBL5998999 0.81 PTPN1 (0.49) PTPN1PTPN2FFAR1L3MBTL1NR4A2
SCHEMBL6000204 0.81 PTPN1 (0.49) PTPN1PTPN2FFAR1NR4A2GYS1

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 11/4885PPARG 435/4885

“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.