SCHEMBL8510004

SCHEMBL8510004

CC(=O)N(O)C(=N)c1ccc(Oc2cc(NS(=O)(=O)c3ccc(F)cc3)cc(Oc3ccc(C(=N)N(ONC(=N)c4ccc(Oc5cc(NS(=O)(=O)c6ccc(F)cc6)cc(Oc6ccc(C(=N)NO)cc6)c5)cc4)C(C)=O)cc3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 4/20 0.55
PRSS2 P07478 4/20 0.55
PRSS3 P35030 4/20 0.55
ST14 Q9Y5Y6 4/20 0.55
F2 P00734 3/20 0.55
MRGPRX1 Q96LB2 1/20 0.40
F10 P00742 1/20 0.39
FFAR4 Q5NUL3 2/20 0.38
FFAR1 O14842 1/20 0.38
MMP1 P03956 2/20 0.38
MMP13 P45452 2/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
PLA2G7 Q13093 1/20 0.37
CACNA1H O95180 2/20 0.37
CACNA1B Q00975 2/20 0.37
BCL2L1 Q07817 1/20 0.36
MCL1 Q07820 1/20 0.36
PLG P00747 1/20 0.36
GFER P55789 1/20 0.36

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
SCHEMBL8513503 0.90 PRSS1 (0.56) PRSS1PRSS2PRSS3ST14F2
SCHEMBL3792439 0.84 ST14 (0.77) PRSS1PRSS2PRSS3ST14F2
SCHEMBL852134 0.81 ST14 (0.76) PRSS1PRSS2PRSS3ST14F2
SCHEMBL8508906 0.74 PRSS1 (0.65) PRSS1PRSS2PRSS3ST14F2
SCHEMBL3798064 0.74 PRSS1 (0.78) PRSS1PRSS2PRSS3ST14F2
SCHEMBL851310 0.72 ST14 (1.00) PRSS1PRSS2PRSS3ST14F2
SCHEMBL851552 0.71 ST14 (0.71) PRSS1PRSS2PRSS3ST14F2
SCHEMBL3790598 0.69 PRSS1 (0.78) PRSS1PRSS2PRSS3ST14F2
SCHEMBL15705237 0.67 FFAR1 (0.68) PRSS1PRSS2PRSS3ST14F2
SCHEMBL851537 0.67 ST14 (0.72) PRSS1PRSS2PRSS3ST14F2

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 2 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-20120136002-A1 PROTEASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-05-31 US 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 3/4885PRSS2 23/4885PRSS3 11/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 PRSS1 3/4885PRSS2 23/4885PRSS3 11/4885

“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.