SCHEMBL6001065

SCHEMBL6001065

CCCC(CCC)c1ccc(CN(C)c2ccc(-c3csc(CN(CC(=O)O)Cc4ccccn4)n3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.55
PTPN1 P18031 1/20 0.55
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
FFAR1 O14842 1/20 0.37
OXTR P30559 1/20 0.35
PTGER2 P43116 2/20 0.34
MMP1 P03956 3/20 0.34
MMP13 P45452 3/20 0.34
MMP2 P08253 2/20 0.34
MMP9 P14780 2/20 0.34
POLB P06746 1/20 0.34
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
MAOB P27338 1/20 0.33
ENPP2 Q13822 1/20 0.33
CSF1R P07333 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 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
SCHEMBL6001002 0.91 PTPN2 (0.58) PTPN2PTPN1PPARGPPARAMMP1
SCHEMBL6000540 0.91 PTPN2 (0.58) PTPN2PTPN1PPARGPPARAMMP1
SCHEMBL5999855 0.91 PTPN2 (0.58) PTPN2PTPN1PPARGPPARAMMP1
SCHEMBL5999947 0.90 PTPN2 (0.60) PTPN2PTPN1MMP1MMP13MMP2
SCHEMBL6000857 0.88 PTPN2 (0.71) PTPN2PTPN1PPARGPPARAFFAR1
SCHEMBL5999136 0.82 PPARG (0.38) PTPN2PTPN1PPARGPPARAFFAR1
SCHEMBL5999131 0.82 PPARG (0.38) PTPN2PTPN1PPARGPPARAFFAR1
SCHEMBL6000717 0.81 PTPN2 (0.62) PTPN2PTPN1PPARGPPARAFFAR1
SCHEMBL5999110 0.80 PTPN2 (0.76) PTPN2PTPN1PPARGPPARAFFAR1
SCHEMBL6001017 0.80 PTPN2 (0.76) PTPN2PTPN1PPARGPPARAFFAR1

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.