SCHEMBL851875

SCHEMBL851875

CCOC(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)nc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
F10 P00742 1/20 0.43
CYP1A2 P05177 2/20 0.41
P2RX3 P56373 3/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 4/20 0.40
KDM4E B2RXH2 5/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
ABCB11 O95342 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR2A P28223 1/20 0.39
PMP22 Q01453 1/20 0.39
PPARA Q07869 1/20 0.39
SLC5A1 P13866 1/20 0.39
SLC5A2 P31639 1/20 0.39
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL851993 0.82 KDM4E (0.56) POLBF10CYP1A2P2RX3RAB9A
SCHEMBL8508932 0.79 F10 (0.52) POLBF10CYP1A2KDM4ETSHR
SCHEMBL8508907 0.79 F10 (0.52) POLBF10CYP1A2KDM4ETSHR
SCHEMBL31618804 0.77 NNMT (0.47) POLBCYP1A2KDM4ETSHRALDH1A1
SCHEMBL3802758 0.77 ALDH1A1 (0.50) CYP1A2RAB9AMAPTKDM4ETSHR
SCHEMBL13755942 0.76 KDM4E (0.45) POLBRAB9AMAPTKDM4ETSHR
SCHEMBL22833345 0.76 KDM4E (0.43) CYP1A2MAPTKDM4ETSHRALDH1A1
SCHEMBL13279297 0.75 PDE4B (0.54) POLBMAPTTSHRLMNA
SCHEMBL19808847 0.75 LMNA (0.55) P2RX3MAPTKDM4EALDH1A1LMNA
SCHEMBL9588785 0.75 KDM4E (0.47) CYP1A2MAPTKDM4ETSHRALDH1A1

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 POLB 1970/4885F10 152/4885CYP1A2 696/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 POLB 1970/4885F10 152/4885CYP1A2 696/4885

“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.