SCHEMBL6000515

SCHEMBL6000515

CCCC(CCC)c1ccc(COc2ccc(C)cc2-c2csc(CN(CC(=O)O)Cc3ccccn3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.52
PTPN1 P18031 1/20 0.52
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
FFAR1 O14842 1/20 0.37
MMP13 P45452 6/20 0.36
RAF1 P04049 3/20 0.35
MAP2K1 Q02750 3/20 0.35
MMP2 P08253 3/20 0.35
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
SYK P43405 3/20 0.34
SLC1A5 Q15758 1/20 0.34
KMT2A Q03164 1/20 0.34
GUCY1B2 O75343 1/20 0.33
GUCY1A2 P33402 1/20 0.33
GUCY1A1 Q02108 1/20 0.33
GUCY1B1 Q02153 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
SCHEMBL5999021 0.92 PTPN2 (0.55) PTPN2PTPN1PPARGPPARAMMP13
SCHEMBL6000857 0.84 PTPN2 (0.71) PTPN2PTPN1PPARGPPARAFFAR1
SCHEMBL6000706 0.84 PTPN2 (0.55) PTPN2PTPN1MMP13MMP2MMP1
SCHEMBL5999121 0.79 PTPN2 (0.43) PTPN2PTPN1PPARAGUCY1B2GUCY1A2
SCHEMBL6001065 0.79 PTPN2 (0.55) PTPN2PTPN1PPARGPPARAFFAR1
SCHEMBL6000717 0.78 PTPN2 (0.62) PTPN2PTPN1PPARGPPARAFFAR1
SCHEMBL5999176 0.77 PPARD (0.44) PTPN2PTPN1PPARGPPARAMMP13
SCHEMBL5998570 0.77 PTPN2 (0.42) PTPN2PTPN1KMT2AGUCY1B2GUCY1A2
SCHEMBL6000136 0.76 PTPN2 (0.58) PTPN2PTPN1PPARAFFAR1MMP13
Hydrochloric Acid SCHEMBL5999876 0.76 PTPN2 (0.58) PTPN2PTPN1PPARAFFAR1MMP13

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.