SCHEMBL3888694

SCHEMBL3888694

CCOC(=O)Cc1c(C#N)ccc(F)c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.45
CYP2C9 P11712 1/20 0.45
NLRP3 Q96P20 2/20 0.41
ALDH1A1 P00352 7/20 0.40
MAPT P10636 6/20 0.40
HPGD P15428 5/20 0.40
HSD17B10 Q99714 3/20 0.40
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
STAT1 P42224 1/20 0.39
L3MBTL1 Q9Y468 4/20 0.38
GAA P10253 3/20 0.38
TSHR P16473 2/20 0.37
MEN1 O00255 1/20 0.37
CASP1 P29466 1/20 0.37

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
SCHEMBL7494802 0.83 NLRP3 (0.42) KDM4ECYP2C9NLRP3ALDH1A1MAPT
SCHEMBL8300824 0.79 RXRA (0.41)
SCHEMBL12985044 0.77 MAPT (0.42) KDM4ECYP2C9NLRP3ALDH1A1MAPT
SCHEMBL5357828 0.77 DAO (0.43) KDM4ECYP2C9NLRP3ALDH1A1MAPT
SCHEMBL29122112 0.75 NLRP3 (0.48) KDM4ECYP2C9NLRP3ALDH1A1MAPT
SCHEMBL13804127 0.74 TRPV4 (0.38) KDM4EMAPTL3MBTL1TDP1
SCHEMBL25248214 0.74 MAPT (0.43) KDM4ECYP2C9NLRP3ALDH1A1MAPT
SCHEMBL3892028 0.74 MAPT (0.39) KDM4ENLRP3ALDH1A1MAPTHPGD
SCHEMBL18758397 0.74 NLRP3 (0.40) KDM4ECYP2C9NLRP3ALDH1A1MAPT
SCHEMBL24495414 0.74 KDM4E (0.43) KDM4ECYP2C9NLRP3ALDH1A1MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7550474-B2 Substituted phenyl acetamides and their use as protease inhibitors JOHNSON & JOHNSON PHARMACEUTICALS RESEARCH & DEVELOPMENT, L.L.C. (US) 2009-06-23 US disclosed
US-7550474-B2 Substituted phenyl acetamides and their use as protease inhibitors JOHNSON & JOHNSON PHARMACEUTICALS RESEARCH & DEVELOPMENT, L.L.C. (US) 2009-06-23 US disclosed
EP-1613319-B1 SUBSTITUTED PHENYL ACETAMIDES AND THEIR USE AS PROTEASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2009-06-03 EP disclosed
EP-1613319-A2 SUBSTITUTED PHENYL ACETAMIDES AND THEIR USE AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-01-11 EP disclosed
US-20040254166-A1 Substituted phenyl acetamides and their use as protease inhibitors JOHNSON & JOHNSON PHARMACEUTICAL RESEARCH & DEVELOPMENT, L.L.C. 2004-12-16 US disclosed
WO-2004091613-A2 SUBSTITUTED PHENYL ACETAMIDES AND THEIR USE AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2004-10-28 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 (1 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-20040254166-A1 Substituted phenyl acetamides and their use as protease inhibitors TFPI, F12, SPINT2 KDM4E 2158/4885CYP2C9 1049/4885NLRP3 751/4885

“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.