SCHEMBL851703

SCHEMBL851703

CCOC(=N)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)c(Oc3ccc(C(=N)OCC)cc3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 5/20 0.52
PRSS1 P07477 2/20 0.52
PRSS2 P07478 2/20 0.52
PRSS3 P35030 2/20 0.52
ST14 Q9Y5Y6 2/20 0.52
F2 P00734 1/20 0.52
F10 P00742 1/20 0.52
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
PGR P06401 1/20 0.47
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
PLA2G7 Q13093 1/20 0.44
ALDH1A1 P00352 3/20 0.43
POLB P06746 2/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
OGT O15294 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL851768 0.86 MRGPRX1 (0.66) MRGPRX1PRSS1PRSS2PRSS3ST14
SCHEMBL851411 0.85 MRGPRX1 (0.51) MRGPRX1PRSS1PRSS2PRSS3F2
SCHEMBL851549 0.85 ST14 (0.71) MRGPRX1PRSS1PRSS2PRSS3ST14
SCHEMBL851124 0.76 PGR (0.54) PRSS1PRSS2PRSS3ST14F2
SCHEMBL851855 0.71 ST14 (0.73) MRGPRX1PRSS1PRSS2PRSS3ST14
SCHEMBL8205322 0.70 F2 (0.53) PRSS1F2CYP1A2CYP2C9ALDH1A1
SCHEMBL30278793 0.70 F2 (0.53) PRSS1F2CYP1A2CYP2C9ALDH1A1
SCHEMBL7791354 0.70 PLAU (0.72) MEN1KMT2ACYP1A2CYP2C9ALDH1A1
SCHEMBL851435 0.70 MRGPRX1 (0.82) MRGPRX1PRSS1PRSS2PRSS3ST14
SCHEMBL850454 0.69 MRGPRX1 (0.63) MRGPRX1PRSS1PRSS2PRSS3ST14

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 202/4885PRSS1 3/4885PRSS2 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.