SCHEMBL852544

SCHEMBL852544

CCOC(=O)c1cc(OCCCNC(=O)OC(C)(C)C)cc(Oc2ccc(C#N)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.48
CA1 P00915 5/20 0.48
CA2 P00918 5/20 0.48
CA9 Q16790 5/20 0.48
MGLL Q99685 2/20 0.45
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MMP3 P08254 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
SCN9A Q15858 3/20 0.39
ALDH1A1 P00352 1/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
PDK2 Q15119 1/20 0.38
TBXA2R P21731 1/20 0.38
SUCNR1 Q9BXA5 1/20 0.38

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
SCHEMBL851986 0.88 CA12 (0.52) CA12CA1CA2CA9MGLL
SCHEMBL850959 0.85 EPHX2 (0.44) MGLLMAPTKDM4ETDP1SCN9A
SCHEMBL851236 0.84 HDAC1 (0.47) TDP1SCN9A
SCHEMBL25080803 0.84 CA12 (0.65) CA12CA1CA2CA9MGLL
SCHEMBL851304 0.82 HDAC1 (0.42) MAPTSCN9A
SCHEMBL13140981 0.80 CA12 (0.64) CA12CA1CA2CA9MGLL
SCHEMBL851271 0.80 PARP15 (0.53) CA12CA1CA2CA9MAPT
SCHEMBL851663 0.80 BTK (0.39) MGLLMAPTKDM4ETDP1SCN9A
SCHEMBL17960659 0.79 CA12 (0.60) CA12CA1CA2CA9MAPT
SCHEMBL851120 0.79 PRKAA2 (0.47) CA12CA1CA2CA9

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 CA12 2031/4885CA1 1657/4885CA2 2649/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 CA12 2031/4885CA1 1657/4885CA2 2649/4885

“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.