SCHEMBL6000693

SCHEMBL6000693

CCCC(CCC)c1ccc(OCc2ccc(-c3csc(CN(CC(=O)O)C(=O)COc4ccc(C)cc4)n3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.64
PTPN1 P18031 1/20 0.64
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
TRPM8 Q7Z2W7 5/20 0.42
BCHE P06276 3/20 0.42
FFAR1 O14842 2/20 0.41
PPARD Q03181 4/20 0.40
PPARA Q07869 3/20 0.40
MMP13 P45452 2/20 0.39
PPARG P37231 1/20 0.38

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
SCHEMBL6000134 0.94 PTPN2 (0.65) PTPN2PTPN1MEN1HTTKMT2A
SCHEMBL6000155 0.94 PTPN2 (0.64) PTPN2PTPN1MEN1HTTKMT2A
SCHEMBL6000171 0.90 PTPN2 (0.63) PTPN2PTPN1MEN1HTTKMT2A
SCHEMBL6000490 0.86 PTPN2 (0.65) PTPN2PTPN1MEN1KMT2ABCHE
SCHEMBL6000670 0.84 PTPN2 (0.64) PTPN2PTPN1MEN1KMT2ABCHE
SCHEMBL6000765 0.84 PTPN2 (0.64) PTPN2PTPN1MEN1KMT2AFFAR1
SCHEMBL6001070 0.84 PTPN2 (0.55) PTPN2PTPN1MEN1HTTKMT2A
SCHEMBL6000062 0.84 PTPN2 (0.76) PTPN2PTPN1FFAR1PPARDPPARA
SCHEMBL6000492 0.82 PTPN2 (0.67) PTPN2PTPN1FFAR1PPARDPPARA
SCHEMBL6001017 0.82 PTPN2 (0.76) PTPN2PTPN1FFAR1PPARAMMP13

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 PTPN2 11/4885PTPN1 2/4885MEN1 4550/4885

“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.