SCHEMBL851435

SCHEMBL851435

N=C(N)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)c(Oc3ccc(C(=N)N)cc3)c2)cc1

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 7/20 0.82
ST14 Q9Y5Y6 6/20 0.71
PRSS1 P07477 5/20 0.71
PRSS2 P07478 5/20 0.71
PRSS3 P35030 5/20 0.71
F2 P00734 5/20 0.71
F10 P00742 3/20 0.67
PLG P00747 1/20 0.48
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
CACNA1H O95180 1/20 0.45
CACNA1B Q00975 1/20 0.45
TMPRSS6 Q8IU80 2/20 0.45
FURIN P09958 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
SCHEMBL851549 0.84 ST14 (0.71) MRGPRX1ST14PRSS1PRSS2PRSS3
SCHEMBL851768 0.84 MRGPRX1 (0.66) MRGPRX1ST14PRSS1PRSS2PRSS3
SCHEMBL851310 0.83 ST14 (1.00) MRGPRX1ST14PRSS1PRSS2PRSS3
SCHEMBL851794 0.80 F10 (1.00) MRGPRX1ST14PRSS1PRSS2PRSS3
SCHEMBL851450 0.79 SLC22A12 (0.54) MRGPRX1FFAR1FFAR4CACNA1HCACNA1B
SCHEMBL850454 0.77 MRGPRX1 (0.63) MRGPRX1ST14PRSS1PRSS2PRSS3
SCHEMBL850834 0.74 ST14 (1.00) MRGPRX1ST14PRSS1PRSS2PRSS3
SCHEMBL3050790 0.74 PTPN1 (0.61) MRGPRX1FFAR1FFAR4CACNA1HCACNA1B
Trifluoroacetic Acid SCHEMBL7151221 0.74 ST14 (0.62) MRGPRX1ST14PRSS1PRSS2PRSS3
SCHEMBL13270794 0.74 ST14 (0.79) ST14PRSS1PRSS2PRSS3F2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 MRGPRX1 202/4885ST14 216/4885PRSS1 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.