SCHEMBL14508583

SCHEMBL14508583

O=c1c(NCC(F)(F)c2cccc[n+]2[O-])ncc(Cl)n1CCNCCc1cccc(Cl)c1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.70
PRSS1 P07477 1/20 0.57

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
SCHEMBL14508585 0.94 F2 (0.77) F2PRSS1
SCHEMBL5483369 0.92 F2 (0.62) F2PRSS1
SCHEMBL8292342 0.91 F2 (0.61) F2PRSS1
SCHEMBL5480327 0.85 F2 (0.68) F2PRSS1
SCHEMBL8292346 0.85 F2 (0.67) F2PRSS1
SCHEMBL8292324 0.84 F2 (0.68) F2PRSS1
SCHEMBL7371121 0.83 F2 (1.00) F2PRSS1
SCHEMBL5477489 0.81 F2 (0.70) F2
SCHEMBL7367776 0.81 F2 (0.86) F2
SCHEMBL14508582 0.80 F2 (0.58) F2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099927-A1 Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-05-03 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-20070099927-A1 Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors F2, F12, SERPINC1 F2 1/4885PRSS1 67/4885

“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.