SCHEMBL5999947

SCHEMBL5999947

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.60
PTPN1 P18031 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 2/20 0.36
MMP1 P03956 4/20 0.36
MMP13 P45452 4/20 0.36
MMP2 P08253 3/20 0.36
MMP9 P14780 3/20 0.36
GCGR P47871 1/20 0.35
GIPR P48546 1/20 0.35
MEN1 O00255 3/20 0.35
LMNA P02545 1/20 0.34
KMT2A Q03164 2/20 0.34
GHSR Q92847 1/20 0.34
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
MAPT P10636 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 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
SCHEMBL6001002 0.96 PTPN2 (0.58) PTPN2PTPN1L3MBTL1ALDH1A1RAB9A
SCHEMBL6000540 0.96 PTPN2 (0.58) PTPN2PTPN1L3MBTL1ALDH1A1RAB9A
SCHEMBL5999855 0.96 PTPN2 (0.58) PTPN2PTPN1L3MBTL1ALDH1A1RAB9A
SCHEMBL6001065 0.90 PTPN2 (0.55) PTPN2PTPN1L3MBTL1MMP1MMP13
SCHEMBL6000538 0.86 PTPN2 (0.48) PTPN2PTPN1L3MBTL1ALDH1A1RAB9A
SCHEMBL6000678 0.86 PTPN2 (0.48) PTPN2PTPN1L3MBTL1ALDH1A1RAB9A
SCHEMBL5999860 0.85 PTPN2 (0.45) PTPN2PTPN1L3MBTL1ALDH1A1RAB9A
SCHEMBL5999858 0.85 PTPN2 (0.45) PTPN2PTPN1L3MBTL1ALDH1A1RAB9A
SCHEMBL5999863 0.84 PTPN2 (0.46) PTPN2PTPN1L3MBTL1ALDH1A1RAB9A
SCHEMBL6001086 0.84 PTPN2 (0.45) PTPN2PTPN1L3MBTL1ALDH1A1RAB9A

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 2/4885L3MBTL1 2811/4885

“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.