SCHEMBL6000633

SCHEMBL6000633

CCC(CC)c1ccc(N(Cc2ccc(-c3csc(COc4cncc(C(=O)OC)c4)n3)cc2)C(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.43
PTPN2 P17706 1/20 0.40
PPARD Q03181 4/20 0.36
PPARA Q07869 2/20 0.36
ALOX5 P09917 2/20 0.35
MAPT P10636 4/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
RAB9A P51151 2/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SIRT2 Q8IXJ6 3/20 0.33
SIRT1 Q96EB6 3/20 0.33
SIRT3 Q9NTG7 3/20 0.33
GRM5 P41594 1/20 0.33
MMP13 P45452 1/20 0.33
NPC1 O15118 1/20 0.33
HSP90AA1 P07900 1/20 0.33

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
SCHEMBL4730748 0.94 PTPN1 (0.45) PTPN1PTPN2PPARDPPARAALOX5
SCHEMBL5999251 0.92 PTPN1 (0.44) PTPN1PTPN2PPARDPPARAALOX5
SCHEMBL6000654 0.92 PTPN1 (0.42) PTPN1PTPN2PPARDPPARAALOX5
SCHEMBL5999470 0.87 PTPN1 (0.49) PTPN1PTPN2PPARDPPARAALOX5
SCHEMBL4728519 0.86 PTPN1 (0.47) PTPN1PTPN2PPARDPPARAALOX5
SCHEMBL6000958 0.85 PTPN1 (0.44) PTPN1PTPN2PPARDPPARAALOX5
SCHEMBL6000020 0.84 PTPN1 (0.48) PTPN1PTPN2PPARDPPARAALOX5
SCHEMBL6000167 0.84 PTPN1 (0.49) PTPN1PTPN2PPARDPPARAALOX5
SCHEMBL6000467 0.82 ALOX5 (0.42) PTPN1PTPN2PPARDPPARAALOX5
SCHEMBL4730504 0.82 PTPN1 (0.65) PTPN1ALOX5SIRT2SIRT1SIRT3

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 11/4885PPARD 848/4885

“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.