SCHEMBL6000597

SCHEMBL6000597

CCCC(CCC)c1ccc(OCc2ccc(-c3csc(CN(CC(=O)O)Cc4nc5ccccc5s4)c3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.59
PTPN1 P18031 1/20 0.59
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
ALOX5 P09917 5/20 0.39
MMP13 P45452 5/20 0.39
MMP2 P08253 3/20 0.39
MMP1 P03956 2/20 0.39
MMP9 P14780 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
EPHX2 P34913 3/20 0.38
ALOX5AP P20292 3/20 0.38
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL6000746 0.87 PTPN1 (0.59) PTPN2PTPN1PPARGPPARAMMP13
SCHEMBL6000830 0.86 PTPN2 (0.52) PTPN2PTPN1ALOX5
SCHEMBL6000646 0.85 PTPN1 (0.51) PTPN2PTPN1PPARGPPARAMMP13
SCHEMBL6000456 0.84 PTPN2 (0.52) PTPN2PTPN1PPARGPPARAALOX5
SCHEMBL6000800 0.84 PTPN1 (0.55) PTPN2PTPN1PPARGPPARAL3MBTL1
SCHEMBL6001012 0.84 PTPN1 (0.66) PTPN2PTPN1PPARGPPARAMMP13
Hydrochloric Acid SCHEMBL6000734 0.83 PTPN2 (0.52) PTPN2PTPN1PPARGPPARAALOX5
SCHEMBL6000799 0.83 PTPN1 (0.79) PTPN2PTPN1PPARGPPARAMMP13
SCHEMBL5999744 0.83 PTPN1 (0.55) PTPN2PTPN1PPARGPPARA
SCHEMBL6000193 0.83 PTPN1 (0.52) PTPN2PTPN1PPARGPPARAMMP13

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 2/4885PPARG 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.