SCHEMBL851400

SCHEMBL851400

CCOC(=O)c1cc(O)cc(Oc2c(F)cc(C#N)cc2F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.52
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA7 P43166 3/20 0.52
CA9 Q16790 3/20 0.52
CA14 Q9ULX7 3/20 0.52
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
PTPN11 Q06124 1/20 0.39
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
EPAS1 Q99814 3/20 0.37
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GPR35 Q9HC97 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 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
SCHEMBL851126 0.81 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL851625 0.76 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL851662 0.75 BTK (0.39) EPAS1CYP3A4SMN1; SMN2TDP1MEN1
SCHEMBL851271 0.75 PARP15 (0.53) CA12CA1CA2CA7CA9
SCHEMBL23384739 0.74 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL31237155 0.74 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL851663 0.74 BTK (0.39) EPAS1TDP1MAPT
SCHEMBL29582124 0.73 EPAS1 (0.40) EPAS1MEN1KMT2A
SCHEMBL14374036 0.72 CA12 (0.73) CA12CA1CA2CA7CA9
SCHEMBL5415007 0.72 CA12 (0.73) 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.