SCHEMBL4170198

SCHEMBL4170198

O=C(CCCCC1SCC2NC(=O)NC21)NCCOCCOCCNC(=O)COc1ccc(OCCOCCOCCOCCCCCCCCCCCS)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.59
PRSS1 P07477 3/20 0.59
PRSS2 P07478 3/20 0.59
PRSS3 P35030 3/20 0.59
TPSAB1 Q15661 3/20 0.59
F2 P00734 2/20 0.59
CSNK2A2 P19784 1/20 0.57
CSNK2B P67870 1/20 0.57
CSNK2A1 P68400 1/20 0.57
CAMK2B Q13554 1/20 0.57
FOLH1 Q04609 5/20 0.52
ADORA2A P29274 1/20 0.52
ADORA2B P29275 1/20 0.52
HSP90AB1 P08238 1/20 0.51
PLCD1 P51178 1/20 0.50
L3MBTL3 Q96JM7 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49

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
SCHEMBL4160745 0.92 PKM (0.59) PKMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL4160750 0.92 PKM (0.59) PKMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL13799326 0.89 PRSS1 (0.57) PKMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL7902281 0.88 F2 (0.69) PKMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL14503597 0.84 F2 (0.62) PKMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL12422720 0.84 PKM (0.59) PKMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL12509708 0.84 PKM (0.59) PKMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL13907081 0.84 F2 (0.68) PKMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL12671591 0.83 F2 (0.61) PKMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL16693779 0.83 PKM (0.60) PKMPRSS1PRSS2PRSS3TPSAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163380-A1 ANALYTE FOCUSING BIOCHIPS FOR AFFINITY MASS SPECTROMETRY STRATOS BIOSYSTEMS, LLC (US) 2009-06-25 US disclosed
US-20090163380-A1 ANALYTE FOCUSING BIOCHIPS FOR AFFINITY MASS SPECTROMETRY STRATOS BIOSYSTEMS, LLC (US) 2009-06-25 US disclosed
US-20090163380-A1 ANALYTE FOCUSING BIOCHIPS FOR AFFINITY MASS SPECTROMETRY STRATOS BIOSYSTEMS, LLC (US) 2009-06-25 US disclosed
WO-2007133714-A2 ANALYTE FOCUSING BIOCHIPS FOR AFFINITY MASS SPECTROMETRY STRATOS BIOSYSTEMS, LLC (US) 2007-11-22 WO disclosed
WO-2007133714-A2 ANALYTE FOCUSING BIOCHIPS FOR AFFINITY MASS SPECTROMETRY STRATOS BIOSYSTEMS, LLC (US) 2007-11-22 WO 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-20090163380-A1 ANALYTE FOCUSING BIOCHIPS FOR AFFINITY MASS SPECTROMETRY STUB1, SPR, DBI PKM 4055/4885PRSS1 1538/4885PRSS2 699/4885

“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.