SCHEMBL6000649

SCHEMBL6000649

CCC(CC)c1ccc(N(Cc2ccc(-c3csc(CN(CCOc4ccccc4)CC(=O)O)n3)cc2)C(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.49
PTPN2 P17706 1/20 0.49
ATP4A P20648 10/20 0.41
ATP4B P51164 10/20 0.41
PPARG P37231 3/20 0.38
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
MMP13 P45452 4/20 0.37
MMP1 P03956 2/20 0.37
PPARA Q07869 2/20 0.37
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36

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
SCHEMBL6000635 0.89 PTPN1 (0.49) PTPN1PTPN2PPARGMEN1HTT
SCHEMBL6000925 0.86 PTPN1 (0.43) PTPN1PTPN2MEN1KMT2AMMP13
SCHEMBL6000680 0.85 PTPN1 (0.44) PTPN1PTPN2MEN1HTTKMT2A
SCHEMBL6000861 0.83 PTPN1 (0.52) PTPN1PTPN2MEN1KMT2AMMP13
SCHEMBL6001153 0.81 PTPN1 (0.43) PTPN1PTPN2MEN1HTTKMT2A
SCHEMBL6000145 0.81 PTPN1 (0.43) PTPN1PTPN2MEN1KMT2A
Hydrochloric Acid SCHEMBL6000203 0.81 PTPN1 (0.54) PTPN1PTPN2ATP4AATP4BMMP13
SCHEMBL6000017 0.81 PTPN2 (0.67) PTPN1PTPN2PPARGMMP13MMP1
SCHEMBL6000911 0.81 PTPN1 (0.40) PTPN1PTPN2MEN1HTTKMT2A
SCHEMBL6000666 0.81 PTPN1 (0.40) PTPN1PTPN2MEN1HTTKMT2A

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 11/4885ATP4A 2174/4885

“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.