SCHEMBL8508932

SCHEMBL8508932

CCOC(=O)c1ccc(Oc2ccc(C#N)cc2)nc1Oc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.52
KDM4E B2RXH2 5/20 0.51
L3MBTL1 Q9Y468 3/20 0.44
GPR55 Q9Y2T6 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL8508907 1.00 F10 (0.52) F10KDM4EL3MBTL1GPR55NPSR1
SCHEMBL8509642 0.92 F10 (0.58) F10KDM4EL3MBTL1GPR55NPSR1
SCHEMBL8512629 0.89 L3MBTL1 (0.55) F10KDM4EL3MBTL1GPR55NPSR1
SCHEMBL850679 0.86 F10 (0.46) F10KDM4EMEN1KMT2ATDP1
SCHEMBL851729 0.86 F10 (0.46) F10KDM4EMEN1KMT2ATDP1
SCHEMBL851993 0.80 KDM4E (0.56) F10KDM4EL3MBTL1GPR55NPSR1
SCHEMBL851875 0.79 POLB (0.44) F10KDM4EL3MBTL1KMT2AALDH1A1
SCHEMBL851547 0.79 KDM4E (0.47) F10KDM4EL3MBTL1GPR55NPSR1
SCHEMBL14640529 0.77 MAPT (0.58) KDM4EL3MBTL1GPR55NPSR1MEN1
SCHEMBL8509596 0.76 F10 (0.53) F10KDM4EMEN1KMT2ATDP1

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
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

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 F10 152/4885KDM4E 2063/4885L3MBTL1 1406/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 F10 152/4885KDM4E 2063/4885L3MBTL1 1406/4885

“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.