SCHEMBL5286607

SCHEMBL5286607

FC(F)(F)c1ccccc1[CH]Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.52
GRIN2D O15399 2/20 0.47
GRIN3B O60391 2/20 0.47
GRIN1 Q05586 2/20 0.47
GRIN2A Q12879 2/20 0.47
GRIN2B Q13224 2/20 0.47
GRIN2C Q14957 2/20 0.47
GRIN3A Q8TCU5 2/20 0.47
TNF P01375 2/20 0.46
IL6 P05231 1/20 0.46
MAOB P27338 4/20 0.43
P4HB P07237 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
LMNA P02545 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MYC P01106 1/20 0.40
MAX P61244 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 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
SCHEMBL2494559 0.80 NFKB1 (0.55) NFKB1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL323188 0.78 NFKB1 (0.53) NFKB1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3647881 0.78 NFKB1 (0.53) NFKB1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL637114 0.78 NFKB1 (0.53) NFKB1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL165004 0.76 NFKB1 (0.52) NFKB1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5544464 0.76 NFKB1 (0.52) NFKB1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5544458 0.76 NFKB1 (0.52) NFKB1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL67207 0.76 NFKB1 (0.57) NFKB1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11126093 0.76 NFKB1 (0.57) NFKB1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2154641 0.76 NFKB1 (0.52) NFKB1GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO claimed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 US claimed
US-7105648-B1 Oligomers substituted by phosphite acid ester, phosphonic acid or carbaborane functions and the corresponding PNA monomers UGICHEM GMBH (AU) 2006-09-12 US claimed
EP-1157031-B1 OLIGOMERS SUBSTITUTED BY PHOSPHONIC ACID ESTER, PHOSPHONIC ACID OR CARBABORANE FUNCTIONS AND THE CORRESPONDING PNA MONOMERS UGICHEM GMBH (AT) 2003-12-17 EP claimed
EP-0793674-B1 HUMAN NEUTROPHIL ELASTASE INHIBITORS CORTECH INC (US) 2000-05-24 EP claimed
EP-0799186-A4 1,4,4-(TRISUBSTITUTED)CYCLOHEX-1-ENE DIMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1998-03-25 EP claimed
EP-0799186-A1 1,4,4-(TRISUBSTITUTED)CYCLOHEX-1-ENE DIMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-10-08 EP claimed
EP-0793674-A1 HUMAN NEUTROPHIL ELASTASE INHIBITORS CORTECH, INC. (US) 1997-09-10 EP claimed
WO-1996020162-A1 1,4,4-(TRISUBSTITUTED)CYCLOHEX-1-ENE DIMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-07-04 WO claimed
WO-1996016080-A1 HUMAN NEUTROPHIL ELASTASE INHIBITORS CORTECH, INC. (US) 1996-05-30 WO claimed
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 US disclosed
US-7105648-B1 Oligomers substituted by phosphite acid ester, phosphonic acid or carbaborane functions and the corresponding PNA monomers UGICHEM GMBH (AU) 2006-09-12 US disclosed
US-6509463-B1 Isocyanoalkylcarbonic acid derivatives, the reaction thereof in isocyanide multicomponent reactions to form sec-amido-alkylcarbonic acid derivatives, and those sec-amidoalkyl-carbonic acid derivatives UGICHEM GMBH (DE) 2003-01-21 US disclosed
US-6147240-A Isocyanoalkyl carbonic acid derivatives, their conversion into secondary amidoalkyl carbonic acid derivatives by isocyanide-multicomponent reactions, as well as these secondary amidoalkyl carbonic acid derivatives UGICHEM GMBH (DE) 2000-11-14 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 (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-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 NFKB1 4577/4885GRIN2D 4763/4885GRIN3B 3686/4885

“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.