SCHEMBL6000748

SCHEMBL6000748

CCCC(CCC)c1ccc(N(Cc2ccc(-c3csc(COc4cc(C(=O)O)ccc4NC(C)=O)n3)cc2)C(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.42
PTPN2 P17706 1/20 0.42
BRD4 O60885 10/20 0.37
PPARD Q03181 3/20 0.33
PPARA Q07869 2/20 0.33
SREBF2 Q12772 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
EPHA2 P29317 1/20 0.32
KDR P35968 1/20 0.32
EPHB4 P54760 1/20 0.32
MYC P01106 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
SCHEMBL6000922 0.94 PTPN1 (0.41) PTPN1PTPN2BRD4PPARDPPARA
SCHEMBL6000501 0.92 PTPN1 (0.42) PTPN1PTPN2BRD4PPARDPPARA
SCHEMBL6000910 0.92 PTPN1 (0.40) PTPN1PTPN2PPARDPPARAEPHA2
SCHEMBL6000284 0.91 PTPN1 (0.41) PTPN1PTPN2PPARDPPARASREBF2
SCHEMBL6000472 0.83 PTPN1 (0.41) PTPN1PTPN2PPARDPPARAEPHA2
SCHEMBL5999470 0.82 PTPN1 (0.49) PTPN1PTPN2PPARDPPARA
SCHEMBL6000953 0.80 PTPN1 (0.39) PTPN1PTPN2PPARDPPARAMEN1
SCHEMBL5999963 0.80 PTPN1 (0.45) PTPN1PTPN2PPARDPPARA
SCHEMBL5999169 0.80 PTPN1 (0.47) PTPN1PTPN2PPARDPPARA
SCHEMBL6000167 0.79 PTPN1 (0.49) PTPN1PTPN2PPARDPPARAKMT2A

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 11/4885BRD4 1931/4885

“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.