SCHEMBL851405

SCHEMBL851405

N#Cc1ccc(Oc2cc(Oc3ccc(C#N)cc3)cc(C(=O)NCC3CCCCC3)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.70
PRSS1 P07477 3/20 0.70
PRSS2 P07478 3/20 0.70
PRSS3 P35030 3/20 0.70
ST14 Q9Y5Y6 3/20 0.70
PLG P00747 2/20 0.70
MMP13 P45452 2/20 0.61
MMP2 P08253 1/20 0.52
TDP1 Q9NUW8 1/20 0.50
NAMPT P43490 1/20 0.50
EGLN2 Q96KS0 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.46
EGLN1 Q9GZT9 1/20 0.46
HDAC6 Q9UBN7 2/20 0.46
MLYCD O95822 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CA2 P00918 1/20 0.45

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
SCHEMBL851804 0.82 ST14 (1.00) F2PRSS1PRSS2PRSS3ST14
SCHEMBL851337 0.81 NPC1 (0.71) F2PRSS1PRSS2PRSS3ST14
SCHEMBL851441 0.81 F2 (0.78) F2PRSS1PRSS2PRSS3ST14
SCHEMBL852038 0.77 F2 (0.70) F2PRSS1PRSS2PRSS3ST14
SCHEMBL3462685 0.77 MMP13 (0.78) F2PRSS1PRSS2PRSS3ST14
SCHEMBL2917118 0.76 TDP1 (0.68) F2PRSS1PRSS2PRSS3ST14
SCHEMBL851551 0.73 ST14 (0.69) F2PRSS1PRSS2PRSS3ST14
SCHEMBL851898 0.73 NPC1 (0.54) F2PRSS1PRSS2PRSS3ST14
SCHEMBL10722498 0.73 HDAC6 (0.77) F2PRSS1PRSS2PRSS3ST14
SCHEMBL850974 0.72 ST14 (0.69) 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 5 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
EP-2432556-A1 PROTEASE INHIBITORS Orion Corporation (FI) 2012-03-28 EP disclosed
WO-2010133748-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2010-11-25 WO 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 F2 112/4885PRSS1 3/4885PRSS2 23/4885
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.