SCHEMBL850454

SCHEMBL850454

N=C(N)c1ccc(Oc2ccc(NS(=O)(=O)c3cccc4ccccc34)c(Oc3ccc(C(=N)N)cc3)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 8/20 0.63
PGR P06401 1/20 0.53
ST14 Q9Y5Y6 3/20 0.52
F2 P00734 5/20 0.50
PRSS1 P07477 4/20 0.50
PRSS2 P07478 4/20 0.50
PRSS3 P35030 4/20 0.50
F10 P00742 3/20 0.50
FURIN P09958 1/20 0.47
TSHR P16473 1/20 0.45
BRAF P15056 1/20 0.44

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
SCHEMBL851411 0.85 MRGPRX1 (0.51) MRGPRX1PGRF2PRSS1PRSS2
SCHEMBL851549 0.84 ST14 (0.71) MRGPRX1PGRST14F2PRSS1
SCHEMBL850766 0.82 PGR (0.54) MRGPRX1PGRBRAF
SCHEMBL851435 0.77 MRGPRX1 (0.82) MRGPRX1ST14F2PRSS1PRSS2
SCHEMBL851657 0.75 PRSS1 (0.47) MRGPRX1ST14F2PRSS1PRSS2
SCHEMBL5955962 0.74 USP2 (0.57) MRGPRX1PGRF2PRSS1PRSS2
SCHEMBL3793198 0.73 PRSS1 (0.46) MRGPRX1ST14F2PRSS1PRSS2
SCHEMBL5955965 0.73 PGR (0.56) PGR
SCHEMBL851703 0.69 MRGPRX1 (0.52) MRGPRX1PGRST14F2PRSS1
SCHEMBL852138 0.68 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 MRGPRX1 202/4885PGR 354/4885ST14 216/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 MRGPRX1 202/4885PGR 354/4885ST14 216/4885

“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.