SCHEMBL851625

SCHEMBL851625

CCOC(=O)c1cc(O)cc(Oc2c(F)cc(CNC(=O)OC(C)(C)C)cc2F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
SERPINE1 P05121 1/20 0.41
PTPN11 Q06124 1/20 0.36
HDAC1 Q13547 2/20 0.36
HTT P42858 1/20 0.35
KDM4A O75164 1/20 0.34
EPAS1 Q99814 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GRM2 Q14416 1/20 0.33
NAMPT P43490 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL851663 0.85 BTK (0.39) SERPINE1HDAC1EPAS1KDM4EMAPT
SCHEMBL851943 0.84 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL851624 0.78 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL5018970 0.76 L3MBTL1 (0.43) CA1CA2HDAC1KDM4AGRM2
SCHEMBL851400 0.76 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL19755812 0.73 ALDH1A1 (0.39) CA12CA1CA2CA7CA9
SCHEMBL21593060 0.73 KDM4A (0.44) CA1CA2SERPINE1HDAC1KDM4A
SCHEMBL850959 0.73 EPHX2 (0.44) HDAC1HTTKDM4EMAPTNAMPT
SCHEMBL851597 0.73 PPARA (0.40) HDAC1EPAS1KDM4EMAPTMEN1
SCHEMBL3905352 0.72 HTT (0.59) CA12CA1CA2CA7CA9

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.