SCHEMBL5998980

SCHEMBL5998980

CCCC(CCC)c1ccc(OCc2ccc(-c3csc(CN(CC(=O)O)C(=O)COc4ccc(C(C)C)cc4)c3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.47
PTPN2 P17706 1/20 0.47
TRPM8 Q7Z2W7 4/20 0.47
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
TP53 P04637 2/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
GYS1 P13807 1/20 0.38
FFAR1 O14842 2/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
MAOB P27338 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL6000487 0.90 PTPN1 (0.47) PTPN1PTPN2TRPM8RXRARXRB
SCHEMBL6383633 0.89 TRPM8 (0.46) PTPN1PTPN2TRPM8RXRARXRB
SCHEMBL6000155 0.85 PTPN2 (0.64) PTPN1PTPN2TRPM8RXRARXRB
SCHEMBL6000943 0.83 PTPN1 (0.49) PTPN1PTPN2RXRARXRBMAPT
SCHEMBL6000885 0.83 PTPN1 (0.47) PTPN1PTPN2FFAR1NPC1RAB9A
SCHEMBL5999776 0.82 PTPN1 (0.52) PTPN1PTPN2RXRARXRBFFAR1
SCHEMBL6000134 0.79 PTPN2 (0.65) PTPN1PTPN2MAPTFFAR1PPARA
SCHEMBL6000703 0.79 PTPN1 (0.47) PTPN1PTPN2FFAR1MAOB
SCHEMBL6000693 0.78 PTPN2 (0.64) PTPN1PTPN2TRPM8FFAR1PPARG
SCHEMBL6000712 0.78 PTPN1 (0.50) PTPN1PTPN2MAPTFFAR1NPC1

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 11/4885TRPM8 3407/4885

“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.