SCHEMBL8513660

SCHEMBL8513660

CC(=O)N(O)C(=N)c1ccc(Oc2cc(NC(=O)[C@H]3CC[C@H](C)CC3)cc(Oc3ccc(C(=N)N(O)C(C)=O)cc3)c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.72
PRSS1 P07477 6/20 0.72
PRSS2 P07478 6/20 0.72
PRSS3 P35030 6/20 0.72
ST14 Q9Y5Y6 6/20 0.72
PLG P00747 4/20 0.72
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
HSD17B10 Q99714 1/20 0.40
NAMPT P43490 1/20 0.38
RAB9A P51151 1/20 0.37
MGLL Q99685 1/20 0.37
ABL1 P00519 1/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.36
USP2 O75604 1/20 0.36
LTA4H P09960 1/20 0.36

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
SCHEMBL851605 1.00 F2 (0.72) F2PRSS1PRSS2PRSS3ST14
SCHEMBL8509291 0.84 ST14 (0.52) F2PRSS1PRSS2PRSS3ST14
SCHEMBL8511550 0.84 ST14 (0.52) F2PRSS1PRSS2PRSS3ST14
SCHEMBL851996 0.84 ST14 (0.52) F2PRSS1PRSS2PRSS3ST14
SCHEMBL851991 0.84 F2 (0.58) F2PRSS1PRSS2PRSS3ST14
SCHEMBL9880184 0.84 ST14 (1.00) F2PRSS1PRSS2PRSS3ST14
SCHEMBL852017 0.84 ST14 (1.00) F2PRSS1PRSS2PRSS3ST14
SCHEMBL851814 0.83 F2 (0.78) F2PRSS1PRSS2PRSS3ST14
SCHEMBL852204 0.83 F2 (0.78) F2PRSS1PRSS2PRSS3ST14
SCHEMBL8512887 0.81 ST14 (0.52) F2PRSS1PRSS2PRSS3ST14

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 2 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

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 F2 112/4885PRSS1 3/4885PRSS2 23/4885

“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.