SCHEMBL851663

SCHEMBL851663

CCOC(=O)c1cc(Oc2ccc(C#N)cc2)cc(Oc2c(F)cc(CNC(=O)OC(C)(C)C)cc2F)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.39
SCN9A Q15858 3/20 0.37
PPARA Q07869 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNA1B Q00975 1/20 0.36
HDAC1 Q13547 1/20 0.35
EPHX2 P34913 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NSD2 O96028 1/20 0.35
ELANE P08246 1/20 0.35
SERPINE1 P05121 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MMP13 P45452 1/20 0.34
S1PR2 O95136 1/20 0.34
MGLL Q99685 1/20 0.34
PGR P06401 1/20 0.34
EPAS1 Q99814 2/20 0.34

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
SCHEMBL850959 0.90 EPHX2 (0.44) SCN9APPARACACNA1GCACNA1BHDAC1
SCHEMBL851597 0.89 PPARA (0.40) SCN9APPARACACNA1GCACNA1BHDAC1
SCHEMBL851625 0.85 CA12 (0.44) BTKHDAC1KDM4ESERPINE1MAPT
SCHEMBL851236 0.85 HDAC1 (0.47) SCN9APPARAHDAC1EPHX2TDP1
SCHEMBL851304 0.83 HDAC1 (0.42) SCN9AHDAC1MAPT
SCHEMBL852315 0.82 ST14 (0.43) SCN9AEPAS1
SCHEMBL851662 0.81 BTK (0.39) BTKSCN9AKDM4EELANEMAPT
SCHEMBL852544 0.80 CA12 (0.48) SCN9AKDM4EMAPTTDP1MGLL
SCHEMBL852057 0.78 PPARA (0.49) SCN9APPARACACNA1GCACNA1BHDAC1
SCHEMBL851943 0.78 CA12 (0.47) PPARAHDAC1EPHX2KDM4ESERPINE1

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 BTK 3308/4885SCN9A 1907/4885PPARA 4625/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 BTK 3308/4885SCN9A 1907/4885PPARA 4625/4885

“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.