SCHEMBL6000974

SCHEMBL6000974

CN(CCc1ccc(CC(C)(C)C)cc1)c1ccc(-c2csc(CN(CC(=O)O)Cc3ccccc3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 8/20 0.42
MMP2 P08253 5/20 0.42
MMP1 P03956 4/20 0.42
MMP9 P14780 3/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
GCGR P47871 1/20 0.38
GIPR P48546 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
CA12 O43570 1/20 0.34

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
SCHEMBL6001060 0.93 PTPN2 (0.44) MMP13MMP2MMP1MMP9PTPN2
SCHEMBL6001063 0.84 MEN1 (0.48) MMP13MMP2MMP1MMP9PTPN2
SCHEMBL6000780 0.84 MMP1 (0.49) MMP13MMP2MMP1MMP9PTPN2
SCHEMBL6000984 0.83 MEN1 (0.42) MMP13MMP2MMP1MMP9PTPN2
SCHEMBL6001107 0.82 PTPN2 (0.42) MMP13MMP2MMP1MMP9PTPN2
SCHEMBL6000750 0.82 MMP1 (0.44) MMP13MMP2MMP1MMP9PTPN2
SCHEMBL6000709 0.80 MMP13 (0.43) MMP13MMP2MMP1MMP9PTPN2
SCHEMBL5999054 0.79 PPARG (0.43) MMP13MMP2MMP1MMP9PTPN2
SCHEMBL5999185 0.79 MAPT (0.41) PTPN2PTPN1GCGRGIPRMEN1
SCHEMBL6001002 0.78 PTPN2 (0.58) MMP13MMP2MMP1MMP9PTPN2

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
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 MMP13 2340/4885MMP2 3073/4885MMP1 3740/4885

“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.