Sugi Predict

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SCHEMBL1814752

SCHEMBL1814752

COc1ccc(C#Cc2ccc(CN(CC3CCCC3)c3ccc4c(c3)C(=O)OC(C)(C)O4)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LTC4S Q16873 3/20 0.37
▸ EDNRB P24530 4/20 0.35
▸ EDNRA P25101 4/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ PTGES O14684 3/20 0.35
▸ TAS2R14 Q9NYV8 1/20 0.35
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GRM3 Q14832 3/20 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
SCHEMBL1812129 0.82 PTPN11 (0.45) GLANPSR1PTGESCNR2
SCHEMBL2853674 0.77 LTB4R2 (0.37) GLANPSR1PTGESKMT2AGAA
SCHEMBL13513486 0.75 NPC1 (0.44) PTGESKMT2AMEN1
SCHEMBL2859200 0.75 NPC1 (0.44) NPSR1KMT2AMEN1
SCHEMBL1812310 0.74 PTPN11 (0.52) LTC4SPTGESTAS2R14KMT2AMEN1
SCHEMBL2857129 0.73 CNR2 (0.36) LTC4SNPSR1PTGESCNR2KMT2A
SCHEMBL1817465 0.73 LTC4S (0.45) LTC4SPTGESTAS2R14GAAGRM3
SCHEMBL2856977 0.72 CNR2 (0.51) CNR1CNR2
SCHEMBL1813070 0.72 RAB9A (0.44) GLANPSR1KMT2AGAAMEN1
SCHEMBL13513508 0.72 CNR2 (0.41) CNR1CNR2

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 8 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 claimed
US-20090029903-A1 1,1'-(1,2-Ethynediyl)Bis-Benzene Derivatives As Ptp 1-B Inhibitors MERCK SERONO SA (CH) 2009-01-29 — — US claimed
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-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-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
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
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 LTC4S 1691/4885EDNRB 1389/4885EDNRA 1888/4885

“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.