SCHEMBL851853

SCHEMBL851853

CC(=O)N(O)C(=N)c1ccc(Oc2ccc(NS(=O)(=O)c3cccc4cccnc34)c(Oc3ccc(C(=N)N(O)C(C)=O)cc3)n2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 4/20 0.74
F10 P00742 3/20 0.47
F2 P00734 2/20 0.47
PRSS1 P07477 2/20 0.47
PRSS2 P07478 2/20 0.47
PRSS3 P35030 2/20 0.47
ALDH1A1 P00352 3/20 0.46
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
POLB P06746 1/20 0.43
SLC16A3 O15427 1/20 0.43
GAA P10253 1/20 0.43
PKLR P30613 2/20 0.43
SLC40A1 Q9NP59 2/20 0.43
ATM Q13315 1/20 0.42
MMP2 P08253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL851125 0.85 ST14 (0.83) ST14F10F2PRSS1PRSS2
SCHEMBL852138 0.85 ST14 (1.00) ST14F10F2PRSS1PRSS2
SCHEMBL851552 0.80 ST14 (0.71) ST14F10F2PRSS1PRSS2
SCHEMBL851537 0.78 ST14 (0.72) ST14F10F2PRSS1PRSS2
SCHEMBL852135 0.78 ST14 (0.70) ST14ALDH1A1TP53HTTMEN1
SCHEMBL15689767 0.67 ALDH1A1 (0.71) ALDH1A1TP53HTTMEN1KMT2A
SCHEMBL15689784 0.66 PKLR (0.65) ALDH1A1MEN1KMT2APOLBSLC16A3
SCHEMBL18753536 0.66 ALDH1A1 (0.78) ALDH1A1TP53HTTMEN1KMT2A
SCHEMBL15689701 0.66 ALDH1A1 (0.69) ALDH1A1TP53HTTMEN1KMT2A
SCHEMBL14301206 0.66 MEN1 (0.67) ALDH1A1TP53HTTMEN1KMT2A

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 ST14 216/4885F10 152/4885F2 112/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 ST14 216/4885F10 152/4885F2 112/4885

“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.