SCHEMBL6000678

SCHEMBL6000678

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
HDAC1 Q13547 5/20 0.39
HDAC6 Q9UBN7 5/20 0.39
GCGR P47871 4/20 0.34
GIPR P48546 4/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
ALOX5 P09917 1/20 0.32
CNR2 P34972 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL6000538 0.94 PTPN2 (0.48) PTPN2PTPN1HDAC1HDAC6GCGR
SCHEMBL5999947 0.86 PTPN2 (0.60) PTPN2PTPN1GCGRGIPRMAPT
SCHEMBL6000540 0.83 PTPN2 (0.58) PTPN2PTPN1GCGRGIPRMAPT
SCHEMBL6001002 0.83 PTPN2 (0.58) PTPN2PTPN1GCGRGIPRMAPT
SCHEMBL5999855 0.83 PTPN2 (0.58) PTPN2PTPN1GCGRGIPRMAPT
SCHEMBL6000909 0.82 KMT2A (0.38) PTPN2PTPN1HDAC1HDAC6GCGR
SCHEMBL6000670 0.80 PTPN2 (0.64) PTPN2PTPN1MAPTALDH1A1RAB9A
SCHEMBL6000490 0.80 PTPN2 (0.65) PTPN2PTPN1MAPTALOX5ALDH1A1
SCHEMBL6000810 0.80 L3MBTL1 (0.37) PTPN2PTPN1GCGRGIPRALOX5
SCHEMBL6000801 0.80 PTPN2 (0.57) PTPN2PTPN1HDAC1HDAC6MAPT

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 2/4885HDAC1 319/4885

“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.