SCHEMBL12656206

SCHEMBL12656206

CCCCCCN(Cc1ccc(O)c(C(=O)O)c1)C(=O)c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 2/20 0.55
STAT3 P40763 3/20 0.51
LTB4R2 Q9NPC1 1/20 0.51
RARB P10826 2/20 0.48
PTPN11 Q06124 1/20 0.47
PTPRO Q16827 1/20 0.47
CNR2 P34972 2/20 0.47
MCL1 Q07820 1/20 0.46
HSP90AA1 P07900 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL12655695 0.92 KAT8 (0.60) KAT8STAT3LTB4R2RARBPTPN11
SCHEMBL1814985 0.91 PTPN11 (0.59) KAT8STAT3LTB4R2PTPN11PTPRO
SCHEMBL12655702 0.90 KAT8 (0.55) KAT8STAT3LTB4R2RARBPTPN11
SCHEMBL12656084 0.86 STAT3 (0.59) KAT8STAT3LTB4R2RARBPTPN11
SCHEMBL1734580 0.82 PTPN11 (0.69) KAT8STAT3LTB4R2RARBPTPN11
SCHEMBL12655717 0.82 RARB (0.58) LTB4R2RARB
SCHEMBL1810218 0.81 PTPN11 (0.61) KAT8STAT3LTB4R2PTPN11PTPRO
SCHEMBL12655690 0.80 PTPN11 (0.68) KAT8STAT3LTB4R2PTPN11PTPRO
SCHEMBL2408990 0.78 HPGD (0.56) LTB4R2HPGD
SCHEMBL1734725 0.78 PTPN11 (0.71) KAT8STAT3LTB4R2RARBPTPN11

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947851-B2 1,1′-(1,2-ethynediyl)bis-benzene derivatives as PTP 1-B inhibitors MERCK SERONO SA (CH) 2011-05-24 US disclosed
US-20090029903-A1 1,1'-(1,2-Ethynediyl)Bis-Benzene Derivatives As Ptp 1-B Inhibitors MERCK SERONO SA (CH) 2009-01-29 US 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-20090029903-A1 1,1'-(1,2-Ethynediyl)Bis-Benzene Derivatives As Ptp 1-B Inhibitors PTPRS, PTPRZ1, PTP4A1 KAT8 4228/4885STAT3 2714/4885LTB4R2 2563/4885

“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.