SCHEMBL851804

SCHEMBL851804

N=C(N)c1ccc(Oc2cc(Oc3ccc(C(=N)N)cc3)cc(C(=O)NCC3CCCCC3)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 18/20 1.00
F2 P00734 16/20 1.00
PRSS1 P07477 14/20 1.00
PRSS2 P07478 14/20 1.00
PRSS3 P35030 14/20 1.00
PLG P00747 7/20 1.00
MMP13 P45452 1/20 0.63
TPSAB1 Q15661 1/20 0.52
TPSD1 Q9BZJ3 1/20 0.52
TPSG1 Q9NRR2 1/20 0.52

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
SCHEMBL851441 0.87 F2 (0.78) ST14F2PRSS1PRSS2PRSS3
SCHEMBL852038 0.83 F2 (0.70) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851405 0.82 F2 (0.70) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851479 0.82 ST14 (1.00) ST14F2PRSS1PRSS2PRSS3
SCHEMBL3462685 0.79 MMP13 (0.78) ST14F2PRSS1PRSS2PRSS3
SCHEMBL6627780 0.76 MMP13 (0.66) ST14F2PRSS1PRSS2PRSS3
SCHEMBL10722498 0.75 HDAC6 (0.77) ST14F2PRSS1PRSS2PRSS3
SCHEMBL2917118 0.75 TDP1 (0.68) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851460 0.74 ST14 (1.00) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851345 0.74 ST14 (1.00) ST14F2PRSS1PRSS2PRSS3

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 216/4885F2 112/4885PRSS1 3/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 ST14 216/4885F2 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.