SCHEMBL6000472

SCHEMBL6000472

CCC(CC)c1ccc(N(Cc2ccc(-c3csc(COc4cc(C(=O)O)ccc4N)n3)cc2)C(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.41
PTPN2 P17706 1/20 0.37
PPARD Q03181 4/20 0.35
PPARA Q07869 2/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 3/20 0.34
ALOX5 P09917 2/20 0.34
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 2/20 0.32
GCGR P47871 2/20 0.32
GIPR P48546 2/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
EP300 Q09472 1/20 0.31
EPHA2 P29317 1/20 0.31
KDR P35968 1/20 0.31
EPHB4 P54760 1/20 0.31

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
SCHEMBL6000953 0.88 PTPN1 (0.39) PTPN1PTPN2PPARDPPARAALDH1A1
SCHEMBL6000167 0.87 PTPN1 (0.49) PTPN1PTPN2PPARDPPARAALDH1A1
SCHEMBL6000020 0.86 PTPN1 (0.48) PTPN1PTPN2PPARDPPARAALOX5
SCHEMBL6000965 0.85 PTPN1 (0.40) PTPN1PTPN2PPARDPPARAALDH1A1
SCHEMBL5999251 0.84 PTPN1 (0.44) PTPN1PTPN2PPARDPPARAALDH1A1
SCHEMBL6000958 0.84 PTPN1 (0.44) PTPN1PTPN2PPARDPPARAALDH1A1
SCHEMBL6000748 0.83 PTPN1 (0.42) PTPN1PTPN2PPARDPPARAEPHA2
SCHEMBL6000284 0.82 PTPN1 (0.41) PTPN1PTPN2PPARDPPARAALOX5
SCHEMBL6000922 0.82 PTPN1 (0.41) PTPN1PTPN2PPARDPPARAALOX5
SCHEMBL6000910 0.81 PTPN1 (0.40) PTPN1PTPN2PPARDPPARAALOX5

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 2/4885PTPN2 11/4885PPARD 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.