SCHEMBL6001098

SCHEMBL6001098

CCCC(CCC)c1ccc(CN(C)c2ccc(-c3csc(COc4cncc(C(=O)O)c4)n3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.50
PTPN1 P18031 1/20 0.50
PPARD Q03181 4/20 0.37
PPARA Q07869 3/20 0.37
ALOX5 P09917 3/20 0.36
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
RAB9A P51151 2/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FFAR1 O14842 1/20 0.32
MMP13 P45452 3/20 0.32
MMP2 P08253 2/20 0.32
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
CYP26A1 O43174 1/20 0.32

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
SCHEMBL6000895 1.00 PTPN2 (0.50) PTPN2PTPN1PPARDPPARAALOX5
SCHEMBL5999470 0.91 PTPN1 (0.49) PTPN2PTPN1PPARDPPARAALOX5
SCHEMBL6000688 0.90 PTPN2 (0.55) PTPN2PTPN1PPARDPPARAALOX5
SCHEMBL6000216 0.90 PTPN2 (0.55) PTPN2PTPN1PPARDPPARAALOX5
SCHEMBL6000948 0.90 PTPN2 (0.48) PTPN2PTPN1PPARDPPARAALOX5
SCHEMBL6001047 0.89 PTPN2 (0.57) PTPN2PTPN1PPARDPPARAALOX5
SCHEMBL6000513 0.89 PTPN2 (0.57) PTPN2PTPN1PPARDPPARAALOX5
SCHEMBL5999785 0.88 PTPN2 (0.50) PTPN2PTPN1PPARDPPARAALOX5
SCHEMBL6000919 0.88 PTPN2 (0.57) PTPN2PTPN1PPARDPPARAALOX5
SCHEMBL6000758 0.88 PTPN2 (0.57) PTPN2PTPN1PPARDPPARAALOX5

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 2/4885PPARD 848/4885

“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.