SCHEMBL3793198

SCHEMBL3793198

N=C(N)c1ccc(Oc2ccc(-c3c(S(N)(=O)=O)ccc4ccccc34)c(Oc3ccc(C(=N)N)cc3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 6/20 0.46
ST14 Q9Y5Y6 5/20 0.46
PRSS2 P07478 3/20 0.46
PRSS3 P35030 3/20 0.46
F10 P00742 10/20 0.45
F2 P00734 7/20 0.45
FURIN P09958 1/20 0.45
PLG P00747 2/20 0.41
KLK1 P06870 2/20 0.41
PLAT P00750 1/20 0.41
PLAU P00749 3/20 0.41
MRGPRX1 Q96LB2 1/20 0.40
HSP90AA1 P07900 2/20 0.39
HSP90AB1 P08238 2/20 0.39
KLKB1 P03952 1/20 0.39

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
SCHEMBL851167 0.84 ST14 (0.53) PRSS1ST14PRSS2PRSS3F10
SCHEMBL851657 0.84 PRSS1 (0.47) PRSS1ST14PRSS2PRSS3F10
SCHEMBL3790590 0.73 ST14 (0.43) PRSS1ST14PRSS2PRSS3F10
SCHEMBL850454 0.73 MRGPRX1 (0.63) PRSS1ST14PRSS2PRSS3F10
SCHEMBL851549 0.70 ST14 (0.71) PRSS1ST14PRSS2PRSS3F10
SCHEMBL29786464 0.69 CA1 (0.64)
SCHEMBL27844249 0.68 CA1 (0.59)
SCHEMBL852158 0.67 CA1 (0.43) HSP90AA1HSP90AB1
SCHEMBL14519335 0.66 F2 (0.72) PRSS1ST14PRSS2PRSS3F10
SCHEMBL851309 0.66 ST14 (0.55) PRSS1ST14PRSS2PRSS3F10

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 4 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
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 PRSS1 3/4885ST14 216/4885PRSS2 23/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 PRSS1 3/4885ST14 216/4885PRSS2 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.