SCHEMBL6000538

SCHEMBL6000538

CCCC(CCC)c1ccc(CN(C)c2ccc(-c3csc(CN(CC(=O)O)C(=O)c4ccc(C)cc4)n3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GRM1 Q13255 1/20 0.36
KMT2A Q03164 2/20 0.34
GCGR P47871 2/20 0.34
GIPR P48546 2/20 0.34
NPC1 O15118 1/20 0.34
BCHE P06276 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.33
AKT1 P31749 1/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 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
SCHEMBL6000678 0.94 PTPN2 (0.48) PTPN2PTPN1ALDH1A1RAB9AL3MBTL1
SCHEMBL5999947 0.86 PTPN2 (0.60) PTPN2PTPN1ALDH1A1RAB9AL3MBTL1
SCHEMBL6000540 0.83 PTPN2 (0.58) PTPN2PTPN1ALDH1A1RAB9AL3MBTL1
SCHEMBL6001002 0.83 PTPN2 (0.58) PTPN2PTPN1ALDH1A1RAB9AL3MBTL1
SCHEMBL5999855 0.83 PTPN2 (0.58) PTPN2PTPN1ALDH1A1RAB9AL3MBTL1
SCHEMBL6000670 0.80 PTPN2 (0.64) PTPN2PTPN1ALDH1A1RAB9AL3MBTL1
SCHEMBL6000909 0.80 KMT2A (0.38) PTPN2PTPN1ALDH1A1RAB9AL3MBTL1
SCHEMBL6000932 0.80 PTPN2 (0.46) PTPN2PTPN1ALDH1A1RAB9AL3MBTL1
SCHEMBL6001070 0.80 PTPN2 (0.55) PTPN2PTPN1ALDH1A1RAB9AKMT2A
SCHEMBL6000490 0.80 PTPN2 (0.65) PTPN2PTPN1ALDH1A1RAB9AKMT2A

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 2/4885ALDH1A1 1733/4885

“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.