SCHEMBL6000652

SCHEMBL6000652

CCCC(CCC)c1ccc(COc2ccc(-c3csc(COc4cncc(C(=O)OC)c4)n3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.54
PTPN1 P18031 1/20 0.54
PPARD Q03181 4/20 0.41
PPARA Q07869 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40
ALOX5 P09917 3/20 0.39
MAPT P10636 5/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 1/20 0.38
KCNH2 Q12809 1/20 0.38
LMNA P02545 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
SIRT3 Q9NTG7 1/20 0.37
HSP90AA1 P07900 1/20 0.37

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
SCHEMBL6000513 0.92 PTPN2 (0.57) PTPN2PTPN1PPARDPPARAL3MBTL1
SCHEMBL6001047 0.92 PTPN2 (0.57) PTPN2PTPN1PPARDPPARAL3MBTL1
SCHEMBL6000919 0.91 PTPN2 (0.57) PTPN2PTPN1PPARDPPARAL3MBTL1
SCHEMBL6000756 0.91 PTPN2 (0.55) PTPN2PTPN1PPARDPPARAL3MBTL1
SCHEMBL6000758 0.91 PTPN2 (0.57) PTPN2PTPN1PPARDPPARAL3MBTL1
SCHEMBL6000913 0.91 PTPN2 (0.55) PTPN2PTPN1PPARDPPARAL3MBTL1
SCHEMBL6000505 0.85 PTPN2 (0.42) PTPN2PTPN1L3MBTL1MAPTRAB9A
SCHEMBL6000860 0.83 PTPN2 (0.48) PTPN2PTPN1PPARDPPARAL3MBTL1
SCHEMBL6000946 0.83 PTPN2 (0.61) PTPN2PTPN1PPARDPPARAPOLB
SCHEMBL6000642 0.83 PTPN2 (0.61) PTPN2PTPN1PPARDPPARAPOLB

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 2 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 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.