SCHEMBL852708

SCHEMBL852708

N=C(N)c1ccc(Oc2cc(NC(=O)C3CCN(CC4CC4)CC3)cc(Oc3ccc(C(=N)N)cc3)c2)cc1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 16/20 0.78
PRSS2 P07478 16/20 0.78
PRSS3 P35030 16/20 0.78
ST14 Q9Y5Y6 16/20 0.78
F2 P00734 15/20 0.78
PLG P00747 8/20 0.78
LTA4H P09960 1/20 0.48
S1PR2 O95136 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL851231 0.89 F2 (0.62) PRSS1PRSS2PRSS3ST14F2
SCHEMBL851668 0.88 ST14 (1.00) PRSS1PRSS2PRSS3ST14F2
SCHEMBL851741 0.88 ST14 (1.00) PRSS1PRSS2PRSS3ST14F2
SCHEMBL851991 0.85 F2 (0.58) PRSS1PRSS2PRSS3ST14F2
SCHEMBL851407 0.82 F2 (0.54) PRSS1PRSS2PRSS3ST14F2
SCHEMBL852693 0.82 ST14 (1.00) PRSS1PRSS2PRSS3ST14F2
SCHEMBL8512585 0.82 ST14 (1.00) PRSS1PRSS2PRSS3ST14F2
SCHEMBL851403 0.82 ST14 (1.00) PRSS1PRSS2PRSS3ST14F2
SCHEMBL8512721 0.82 ST14 (1.00) PRSS1PRSS2PRSS3ST14F2
SCHEMBL852017 0.81 ST14 (1.00) PRSS1PRSS2PRSS3ST14F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722930-B2 Protease inhibitors ORION CORPORATION (FI) 2014-05-13 US disclosed
US-20120136002-A1 PROTEASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-05-31 US disclosed
EP-2432556-A1 PROTEASE INHIBITORS Orion Corporation (FI) 2012-03-28 EP 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-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 PRSS1 3/4885PRSS2 23/4885PRSS3 11/4885

“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.