SCHEMBL3428313

SCHEMBL3428313

O=C(O)Cc1cc2cc(OC(F)(F)F)ccc2[nH]1.[LiH]

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
KMT2A Q03164 2/20 0.61
GAA P10253 1/20 0.61
IDO1 P14902 1/20 0.53
MAPT P10636 2/20 0.50
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 1/20 0.48
PTGS2 P35354 2/20 0.43
LGALS8 O00214 1/20 0.43
LGALS3 P17931 1/20 0.43
PTGS1 P23219 1/20 0.43
XDH P47989 1/20 0.43
FFAR1 O14842 1/20 0.43
PIM1 P11309 1/20 0.43
HDAC3 O15379 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
FLT3 P36888 1/20 0.41

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
Lithium Ion SCHEMBL3428310 0.85 KDM4E (0.56) KDM4EKMT2AGAAIDO1MAPT
SCHEMBL3425249 0.82 KDM4E (0.53) KDM4EKMT2AGAAIDO1MAPT
SCHEMBL7465079 0.82 KDM4E (0.60) KDM4EKMT2AGAAMAPTPTGS2
SCHEMBL3711402 0.82 KDM4E (0.55) KDM4EKMT2AGAAIDO1MAPT
SCHEMBL2931171 0.80 KDM4E (0.71) KDM4EKMT2AGAAIDO1MAPT
SCHEMBL29390774 0.80 LOXL2 (0.63) KDM4EKMT2AGAAPTGS1MTNR1A
SCHEMBL1331625 0.80 LOXL2 (0.63) KDM4EKMT2AGAAPTGS1MTNR1A
Trifluoroacetic Acid SCHEMBL27758366 0.80 KDM4E (0.66) KDM4EKMT2AGAAIDO1MAPT
SCHEMBL22529432 0.76 KDM4E (0.69) KDM4EKMT2AGAAIDO1MAPT
SCHEMBL4860862 0.76 KDM4E (0.73) KDM4EKMT2AGAAIDO1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620391-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2014-01-15 EP disclosed
US-7696205-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-13 US disclosed
US-20080108678-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-7291615-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-06 US disclosed
EP-1620391-A4 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2007-10-31 EP disclosed
EP-1620391-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2006-02-01 EP disclosed
US-20040235836-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2004-11-25 US disclosed
WO-2004098516-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-18 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-20040235836-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 KDM4E 4656/4885KMT2A 4466/4885GAA 4566/4885
US-20080108678-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 KDM4E 4697/4885KMT2A 4534/4885GAA 4561/4885

“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.