SCHEMBL6000998

SCHEMBL6000998

CCCC(CCC)c1ccc(OCc2ccc(-c3csc(COc4cncc(C(=O)OS(C)(=O)=O)c4)c3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.40
PTPN2 P17706 1/20 0.40
FFAR1 O14842 3/20 0.33
SIRT2 Q8IXJ6 6/20 0.33
SIRT1 Q96EB6 4/20 0.33
SIRT3 Q9NTG7 4/20 0.33
S1PR1 P21453 1/20 0.32
RXRA P19793 2/20 0.32
RXRB P28702 2/20 0.32
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
ADAMTS4 O75173 2/20 0.31
MMP13 P45452 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL6000505 0.90 PTPN2 (0.42) PTPN1PTPN2FFAR1SIRT2SIRT1
SCHEMBL6000994 0.90 PTPN1 (0.42) PTPN1PTPN2FFAR1SIRT2SIRT1
Sulfuric Acid SCHEMBL5999979 0.89 PTPN1 (0.42) PTPN1PTPN2FFAR1SIRT2SIRT1
SCHEMBL6000207 0.88 PTPN1 (0.44) PTPN1PTPN2FFAR1SIRT2SIRT1
SCHEMBL6000080 0.88 PTPN2 (0.42) PTPN1PTPN2FFAR1SIRT2SIRT1
SCHEMBL6000084 0.88 PTPN1 (0.44) PTPN1PTPN2FFAR1SIRT2SIRT1
Hydrochloric Acid SCHEMBL6000749 0.88 PTPN1 (0.44) PTPN1PTPN2FFAR1SIRT2SIRT1
SCHEMBL6000024 0.80 RXRA (0.52) PTPN1PTPN2FFAR1RXRARXRB
SCHEMBL6000881 0.78 PTPN1 (0.41) PTPN1PTPN2FFAR1SIRT2SIRT1
SCHEMBL5999749 0.76 PTPN1 (0.42) PTPN1PTPN2FFAR1RXRARXRB

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 PTPN1 2/4885PTPN2 11/4885FFAR1 274/4885

“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.