SCHEMBL851407

SCHEMBL851407

N#Cc1ccc(Oc2cc(NC(=O)C3CCN(CC4CC4)CC3)cc(Oc3ccc(C#N)cc3)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.54
PRSS1 P07477 5/20 0.54
PRSS2 P07478 5/20 0.54
PRSS3 P35030 5/20 0.54
ST14 Q9Y5Y6 5/20 0.54
PLG P00747 3/20 0.54
SIGMAR1 Q99720 2/20 0.53
KMT2A Q03164 2/20 0.48
LTA4H P09960 1/20 0.45
S1PR2 O95136 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL852708 0.82 PRSS1 (0.78) F2PRSS1PRSS2PRSS3ST14
SCHEMBL851253 0.82 F2 (0.52) F2PRSS1PRSS2PRSS3ST14
SCHEMBL852001 0.82 F2 (0.60) F2PRSS1PRSS2PRSS3ST14
SCHEMBL851231 0.82 F2 (0.62) F2PRSS1PRSS2PRSS3ST14
SCHEMBL8509703 0.80 F2 (0.67) F2PRSS1PRSS2PRSS3ST14
SCHEMBL851809 0.80 F2 (0.67) F2PRSS1PRSS2PRSS3ST14
SCHEMBL851810 0.80 ST14 (0.56) F2PRSS1PRSS2PRSS3ST14
SCHEMBL851603 0.80 PTPN2 (0.58) F2PRSS1PRSS2PRSS3ST14
SCHEMBL852205 0.80 F2 (0.51) F2PRSS1PRSS2PRSS3ST14
SCHEMBL851991 0.78 F2 (0.58) 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-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 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.