SCHEMBL6000830

SCHEMBL6000830

CCCC(CCC)c1ccc(OCc2ccc(-c3csc(CN(CC(=O)O)Cc4ccc5ccccc5n4)c3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.52
PTPN1 P18031 1/20 0.52
CYSLTR1 Q9Y271 7/20 0.47
CYSLTR2 Q9NS75 6/20 0.47
ALOX5 P09917 5/20 0.42
FFAR1 O14842 1/20 0.41
AKR1B1 P15121 1/20 0.41
ADAMTS4 O75173 1/20 0.40

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
SCHEMBL6000597 0.86 PTPN2 (0.59) PTPN2PTPN1ALOX5
SCHEMBL6000646 0.85 PTPN1 (0.51) PTPN2PTPN1CYSLTR1FFAR1
SCHEMBL6000193 0.85 PTPN1 (0.52) PTPN2PTPN1FFAR1ADAMTS4
SCHEMBL6000456 0.85 PTPN2 (0.52) PTPN2PTPN1ALOX5FFAR1
Hydrochloric Acid SCHEMBL6000734 0.84 PTPN2 (0.52) PTPN2PTPN1ALOX5FFAR1
SCHEMBL5999776 0.83 PTPN1 (0.52) PTPN2PTPN1ALOX5FFAR1
SCHEMBL6000800 0.83 PTPN1 (0.55) PTPN2PTPN1FFAR1
Sulfuric Acid SCHEMBL6000124 0.82 PTPN1 (0.50) PTPN2PTPN1ALOX5FFAR1
SCHEMBL6000712 0.82 PTPN1 (0.50) PTPN2PTPN1FFAR1
SCHEMBL6000746 0.82 PTPN1 (0.59) PTPN2PTPN1FFAR1

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 2/4885CYSLTR1 1974/4885

“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.