SCHEMBL6000851

SCHEMBL6000851

CCC(CC)c1ccc(N(Cc2ccc(-c3csc(CN(CC(=O)O)C(=O)N4CCCCC4)n3)cc2)C(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.41
PTPN2 P17706 1/20 0.41
S1PR1 P21453 1/20 0.34
ALOX5 P09917 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
GCGR P47871 3/20 0.31
GIPR P48546 3/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HRH3 Q9Y5N1 1/20 0.31
NAMPT P43490 1/20 0.31
KCNQ1 P51787 1/20 0.30
BCHE P06276 1/20 0.30

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
SCHEMBL6001036 0.86 PTPN1 (0.41) PTPN1PTPN2S1PR1NPC1RAB9A
SCHEMBL5999987 0.84 PTPN1 (0.52) PTPN1PTPN2S1PR1ALOX5NPC1
SCHEMBL5999896 0.83 PTPN1 (0.40) PTPN1PTPN2S1PR1NPC1RAB9A
SCHEMBL6000911 0.83 PTPN1 (0.40) PTPN1PTPN2NPC1RAB9AALDH1A1
SCHEMBL6000478 0.83 PTPN1 (0.39) PTPN1PTPN2S1PR1NPC1RAB9A
SCHEMBL6000743 0.82 PTPN1 (0.39) PTPN1PTPN2NPC1RAB9AALDH1A1
SCHEMBL6000635 0.82 PTPN1 (0.49) PTPN1PTPN2GCGRGIPRMEN1
SCHEMBL6000221 0.81 PTPN1 (0.39) PTPN1PTPN2NPC1RAB9APKM
SCHEMBL6000861 0.79 PTPN1 (0.52) PTPN1PTPN2S1PR1ALOX5NPC1
SCHEMBL5999104 0.79 PTPN2 (0.44) PTPN1PTPN2S1PR1NPC1RAB9A

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 11/4885S1PR1 740/4885

“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.