SCHEMBL851617

SCHEMBL851617

CCOC(=O)N1CCN(C(=O)c2cc(O)cc(Oc3ccc(C(N)C(=O)OC(C)(C)C)cc3)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 1/20 0.46
CYP2C19 P33261 2/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.41
PRSS1 P07477 2/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
ST14 Q9Y5Y6 2/20 0.41
PLG P00747 1/20 0.41
TSHR P16473 1/20 0.40
PARP10 Q53GL7 1/20 0.40
RAB9A P51151 1/20 0.39
CYP1A2 P05177 1/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL8510132 0.89 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1SMN1; SMN2GAA
SCHEMBL851688 0.81 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1SMN1; SMN2GAA
SCHEMBL861712 0.81 PRSS1 (0.45) PRSS1PRSS2PRSS3ST14PLG
SCHEMBL8512436 0.81 PRSS1 (0.45) PRSS1PRSS2PRSS3ST14PLG
SCHEMBL851618 0.80 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1SMN1; SMN2GAA
SCHEMBL851372 0.79 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1SMN1; SMN2GAA
SCHEMBL851129 0.73 PRSS1 (0.69) ALDH1A1KMT2AMEN1SMN1; SMN2GAA
SCHEMBL850539 0.72 ALDH1A1 (0.63) ALDH1A1KMT2AMEN1SMN1; SMN2GAA
SCHEMBL8510365 0.72 ST14 (0.59) PRSS1PRSS2PRSS3ST14PLG
SCHEMBL850637 0.70 PRSS1 (0.49) PRSS1PRSS2PRSS3ST14PLG

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-20140200225-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2014-07-17 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 (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-20140200225-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 ALDH1A1 1252/4885KMT2A 3122/4885MEN1 258/4885

“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.