SCHEMBL6000460

SCHEMBL6000460

CCC(CC)c1ccc(N(Cc2ccc(-c3csc(CCNc4ccc(OCC(=O)O)c(C(=O)O)c4)n3)cc2)C(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.40
PPARD Q03181 4/20 0.37
PPARA Q07869 2/20 0.37
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
PTPN2 P17706 1/20 0.35
MAPK1 P28482 1/20 0.34
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
PTPN7 P35236 2/20 0.32
PTPN22 Q9Y2R2 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
RAB9A P51151 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
SCHEMBL6000444 0.87 PTPN1 (0.44) PTPN1PPARDPPARAMEN1PTPN2
SCHEMBL6000431 0.78 PTPN1 (0.38) PTPN1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL6000459 0.76 ROCK2 (0.48) PTPN1PPARAMEN1MAPTKMT2A
SCHEMBL6000674 0.75 PTPN1 (0.51) PTPN1PPARAMEN1MAPTKMT2A
SCHEMBL6000925 0.75 PTPN1 (0.43) PTPN1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL6000167 0.74 PTPN1 (0.49) PTPN1PPARDPPARAMAPTKMT2A
SCHEMBL6000472 0.73 PTPN1 (0.41) PTPN1PPARDPPARAMAPTSMN1; SMN2
SCHEMBL4726976 0.73 PTPN1 (0.36) PTPN1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL4726316 0.73 PTPN1 (0.38) PTPN1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL6000020 0.73 PTPN1 (0.48) PTPN1PPARDPPARAMAPTPTPN2

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 PTPN1 2/4885PPARD 848/4885PPARA 741/4885

“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.