SCHEMBL6000677

SCHEMBL6000677

CCCC(CCC)c1ccc(OCc2ccc(-c3ccc(C(=O)N(CC(=O)O)Cc4ccccn4)s3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
MAOB P27338 2/20 0.42
HSD17B2 P37059 5/20 0.40
FFAR1 O14842 3/20 0.39
TRPM8 Q7Z2W7 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
GPR88 Q9GZN0 1/20 0.36
HSD17B1 P14061 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 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
SCHEMBL5999740 0.87 PTPN2 (0.47) NR4A2PTPN2PTPN1HSD17B2FFAR1
SCHEMBL6000493 0.86 PTPN2 (0.47) NR4A2PTPN2PTPN1MAOBHSD17B2
SCHEMBL6000837 0.85 PTPN1 (0.46) NR4A2PTPN2PTPN1MAOBHSD17B2
SCHEMBL6001018 0.83 PTPN2 (0.45) NR4A2PTPN2PTPN1HSD17B2ALDH1A1
SCHEMBL6000761 0.82 PTPN2 (0.65) NR4A2PTPN2PTPN1HSD17B2FFAR1
SCHEMBL6001020 0.76 PTPN2 (0.43) NR4A2PTPN2PTPN1MAOBHSD17B2
SCHEMBL5998999 0.76 PTPN1 (0.49) NR4A2PTPN2PTPN1MAOBFFAR1
SCHEMBL6000857 0.76 PTPN2 (0.71) PTPN2PTPN1MAOBFFAR1PPARG
SCHEMBL5999197 0.74 PTPN2 (0.51) NR4A2PTPN2PTPN1FFAR1ALDH1A1
SCHEMBL5999189 0.74 PTPN2 (0.47) NR4A2PTPN2PTPN1MAOBFFAR1

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 NR4A2 504/4885PTPN2 11/4885PTPN1 2/4885

“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.