SCHEMBL5999740

SCHEMBL5999740

CCCC(CCC)c1ccc(OCc2ccc(-c3ccc(C(=O)N(CC(=O)O)Cc4cccnc4)s3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
NR4A2 P43354 1/20 0.45
GRM2 Q14416 3/20 0.42
MMP13 P45452 5/20 0.40
MMP2 P08253 1/20 0.40
HSD17B2 P37059 2/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
GPR132 Q9UNW8 3/20 0.39
ADAMTS4 O75173 1/20 0.39
FFAR1 O14842 1/20 0.38

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
SCHEMBL6000493 0.87 PTPN2 (0.47) PTPN2PTPN1NR4A2HSD17B2FFAR1
SCHEMBL6000677 0.87 NR4A2 (0.46) PTPN2PTPN1NR4A2HSD17B2TRPM8
SCHEMBL6000837 0.86 PTPN1 (0.46) PTPN2PTPN1NR4A2HSD17B2FFAR1
SCHEMBL6000761 0.83 PTPN2 (0.65) PTPN2PTPN1NR4A2HSD17B2FFAR1
SCHEMBL6001018 0.81 PTPN2 (0.45) PTPN2PTPN1NR4A2HSD17B2
SCHEMBL6001020 0.74 PTPN2 (0.43) PTPN2PTPN1NR4A2HSD17B2FFAR1
SCHEMBL5998999 0.74 PTPN1 (0.49) PTPN2PTPN1NR4A2FFAR1
SCHEMBL6000490 0.72 PTPN2 (0.65) PTPN2PTPN1MMP13MMP2FFAR1
SCHEMBL6000204 0.72 PTPN1 (0.49) PTPN2PTPN1NR4A2FFAR1
SCHEMBL6000708 0.72 PTPN2 (0.51) PTPN2PTPN1NR4A2MMP13ADAMTS4

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 2/4885NR4A2 504/4885

“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.