SCHEMBL850540

SCHEMBL850540

N#Cc1ccc(Oc2cc(Oc3ccc(C#N)cn3)cc(C(=O)O)c2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.48
OPRM1 P35372 1/20 0.45
FPR2 P25090 1/20 0.45
SCN9A Q15858 1/20 0.45
EGLN2 Q96KS0 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42
MAP4K4 O95819 1/20 0.41
KDM4C Q9H3R0 1/20 0.40
ALKBH1 Q13686 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
P2RX3 P56373 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
MAPT P10636 1/20 0.39
PARP15 Q460N3 1/20 0.39
PARP10 Q53GL7 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
ACACB O00763 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
SCHEMBL1222601 0.88 OPRM1 (0.51) PDE4BOPRM1FPR2SCN9AHRH3
SCHEMBL851561 0.81 KDM4E (0.47) PDE4BOPRM1FPR2SCN9AHRH3
SCHEMBL851888 0.79 HRH3 (0.54) PDE4BSCN9AEGLN2HRH3
SCHEMBL3693450 0.78 PARP10 (0.68) PDE4BOPRM1FPR2SCN9AMAP4K4
SCHEMBL6158872 0.78 OPRM1 (0.61) PDE4BOPRM1MAP4K4ACACB
SCHEMBL851979 0.78 PARP15 (0.62) EGLN2MEN1KMT2AF2MAPT
SCHEMBL850692 0.77 PARP15 (0.53) FPR2SCN9AEGLN2MAP4K4MEN1
SCHEMBL8410055 0.76 OPRM1 (0.57) PDE4BOPRM1FPR2SCN9AP2RX3
SCHEMBL1222107 0.73 OPRM1 (0.50) PDE4BOPRM1FPR2SCN9AMAP4K4
SCHEMBL3137949 0.73 PRKAA2 (0.52) MEN1KMT2AF2MAPT

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 PDE4B 1929/4885OPRM1 3504/4885FPR2 3179/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 PDE4B 1929/4885OPRM1 3504/4885FPR2 3179/4885

“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.