SCHEMBL6000618

SCHEMBL6000618

CCCC(CCC)c1ccc(N(Cc2ccc(-c3csc(CN(CC(=O)O)CC(=O)NCc4ccccc4)n3)cc2)C(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.51
PTPN2 P17706 1/20 0.51
MMP1 P03956 2/20 0.35
MMP13 P45452 2/20 0.35
RORC P51449 1/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ROCK2 O75116 2/20 0.34
GRK2 P25098 1/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 2/20 0.34
ROCK1 Q13464 1/20 0.34
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL5999977 0.87 PTPN2 (0.51) PTPN1PTPN2KMT2AMAPTNPC1
SCHEMBL6000600 0.86 PTPN2 (0.50) PTPN1PTPN2KMT2AMAPTNPC1
SCHEMBL6000973 0.85 PTPN1 (0.49) PTPN1PTPN2MMP1MMP13KMT2A
SCHEMBL6000635 0.85 PTPN1 (0.49) PTPN1PTPN2MMP1MMP13KMT2A
Hydrochloric Acid SCHEMBL5999167 0.84 PTPN1 (0.54) PTPN1PTPN2MMP1MMP13KMT2A
SCHEMBL6000680 0.84 PTPN1 (0.44) PTPN1PTPN2MMP1MMP13KMT2A
SCHEMBL5999182 0.84 PTPN2 (0.55) PTPN1PTPN2MMP1MMP13RORC
Hydrochloric Acid SCHEMBL6000203 0.83 PTPN1 (0.54) PTPN1PTPN2MMP1MMP13CA1
SCHEMBL6001050 0.83 PTPN1 (0.55) PTPN1PTPN2MMP1MMP13RAB9A
Hydrochloric Acid SCHEMBL5999848 0.83 PTPN1 (0.53) PTPN1PTPN2MMP1MMP13MMP2

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 11/4885MMP1 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.