SCHEMBL5999919

SCHEMBL5999919

CC(C)CCN(CC(=O)O)Cc1nc(-c2ccc(N(C)Cc3ccc(C4CCCCC4)cc3)cc2)cs1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
MRE11 P49959 1/20 0.38
STAT3 P40763 12/20 0.36
STAT1 P42224 2/20 0.36
STAT5B P51692 2/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
ALOX5 P09917 1/20 0.34
TRPA1 O75762 1/20 0.34
FFAR1 O14842 1/20 0.34

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
SCHEMBL5999939 0.94 PTPN2 (0.39) PTPN2PTPN1MRE11STAT3STAT1
SCHEMBL5999933 0.94 PTPN2 (0.39) PTPN2PTPN1MRE11STAT3STAT1
SCHEMBL6000602 0.88 STAT3 (0.41) PTPN2PTPN1MRE11STAT3STAT1
SCHEMBL5999217 0.87 STAT3 (0.39) PTPN2PTPN1MRE11STAT3STAT1
SCHEMBL6000721 0.87 PTPN2 (0.42) PTPN2PTPN1STAT3GAAMAPT
SCHEMBL5999925 0.85 PTPN2 (0.39) PTPN2PTPN1MRE11GAAMAPT
SCHEMBL6000822 0.85 STAT3 (0.40) MRE11STAT3STAT1STAT5B
SCHEMBL5999147 0.85 GCGR (0.40) MRE11STAT3STAT1STAT5BTRPA1
SCHEMBL6000143 0.84 MRE11 (0.40) MRE11STAT3STAT1STAT5BTRPA1
SCHEMBL6001059 0.83 RXRA (0.42) MRE11STAT3STAT1STAT5BGAA

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 3 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
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 2/4885MRE11 4881/4885

“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.