SCHEMBL8512810

SCHEMBL8512810

CC(=O)N(O)C(=N)c1ccc(Oc2cc(Oc3ccc(CNC(=O)OC(C)(C)C)cc3)cc(C(=O)N3CCCC4CCCC=C43)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.34
F2 P00734 7/20 0.34
PRSS1 P07477 4/20 0.34
PRSS2 P07478 4/20 0.34
PRSS3 P35030 4/20 0.34
ST14 Q9Y5Y6 4/20 0.34
GPR119 Q8TDV5 1/20 0.33
AVPR2 P30518 1/20 0.32
PLG P00747 2/20 0.32
HDAC1 Q13547 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NAMPT P43490 2/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPN P05981 1/20 0.31

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
SCHEMBL8509245 0.88 ROCK2 (0.36) ROCK2F2PRSS1PRSS2PRSS3
SCHEMBL852009 0.86 ROCK2 (0.38) ROCK2AVPR2HDAC1MEN1KMT2A
SCHEMBL8511791 0.85 PRKAA2 (0.38) ROCK2GPR119HDAC1NAMPT
SCHEMBL851443 0.81 PRSS1 (0.48) F2PRSS1PRSS2PRSS3ST14
SCHEMBL860509 0.76 PRSS1 (0.52) F2PRSS1PRSS2PRSS3ST14
SCHEMBL861468 0.73 ST14 (0.54) F2PRSS1PRSS2PRSS3ST14
SCHEMBL8509247 0.71 HSD11B1 (0.43) ROCK2F2PRSS1PRSS2PRSS3
SCHEMBL851885 0.71 ST14 (0.42) F2PRSS1PRSS2PRSS3ST14
SCHEMBL851315 0.71 ST14 (0.43) F2PRSS1PRSS2PRSS3ST14
SCHEMBL851477 0.71 ST14 (0.37) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140200225-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2014-07-17 US disclosed
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 (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-20140200225-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 ROCK2 4485/4885F2 112/4885PRSS1 3/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 ROCK2 4485/4885F2 112/4885PRSS1 3/4885

“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.