SCHEMBL3979585

SCHEMBL3979585

NC(=O)c1cccc(OCCCCCOc2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 9/20 0.65
F2 P00734 1/20 0.65
PLG P00747 1/20 0.65
PRSS2 P07478 1/20 0.65
C1S P09871 1/20 0.65
PRSS3 P35030 1/20 0.65
PARP10 Q53GL7 1/20 0.63
KMT2A Q03164 1/20 0.58
PLA2G4B P0C869 1/20 0.57
PARP1 P09874 1/20 0.56
NR4A2 P43354 1/20 0.54

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
SCHEMBL203431 0.98 PRSS1 (0.67) PRSS1F2PLGPRSS2C1S
SCHEMBL202127 0.90 FAAH (0.58) PRSS1F2PLGPRSS2C1S
SCHEMBL204302 0.90 FAAH (0.58) PRSS1F2PLGPRSS2C1S
SCHEMBL14791423 0.89 PRSS1 (0.62) PRSS1F2PLGPRSS2C1S
SCHEMBL201793 0.89 PRSS1 (0.62) PRSS1F2PLGPRSS2C1S
SCHEMBL200758 0.89 PRSS1 (0.62) PRSS1F2PLGPRSS2C1S
SCHEMBL7440117 0.89 PRSS1 (0.62) PRSS1F2PLGPRSS2C1S
SCHEMBL201955 0.89 PRSS1 (0.62) PRSS1F2PLGPRSS2C1S
SCHEMBL1387170 0.89 PRSS1 (0.62) PRSS1F2PLGPRSS2C1S
SCHEMBL2707189 0.89 PRSS1 (0.62) PRSS1F2PLGPRSS2C1S

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
EP-2056810-A2 THIOUREA COMPOUNDS National Health Research Institutes (TW) 2009-05-13 EP disclosed
US-20080113975-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-05-15 US disclosed
US-20080096875-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-04-24 US disclosed
WO-2008022204-A2 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-02-21 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 (2 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-20080096875-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, ETV6 PRSS1 3925/4885F2 2960/4885PLG 4878/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 PRSS1 3857/4885F2 3049/4885PLG 4874/4885

“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.