SCHEMBL3589290

SCHEMBL3589290

CC(C)(C)OC(=O)c1ccc(/C=C/C(F)(F)F)cc1F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 3/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.35
MCL1 Q07820 1/20 0.35
CXCL12 P48061 1/20 0.34
TNFRSF1A P19438 1/20 0.33
APP P05067 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CTSL P07711 2/20 0.33
HDAC1 Q13547 1/20 0.32
GAA P10253 2/20 0.32
CYP2C19 P33261 1/20 0.32
USP30 Q70CQ3 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX12 P18054 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL3594737 1.00 TUBB1 (0.37) TUBB1MEN1KMT2ALMNAHPGD
SCHEMBL3589296 1.00 TUBB1 (0.37) TUBB1MEN1KMT2ALMNAHPGD
SCHEMBL3595801 0.82 ALDH1A1 (0.40) TUBB1KMT2AHPGDMAPTSMN1; SMN2
SCHEMBL3579605 0.79 PIM1 (0.43) TUBB1HPGDAPPALDH1A1PTGS2
SCHEMBL3579606 0.79 PIM1 (0.43) TUBB1HPGDAPPALDH1A1PTGS2
SCHEMBL3595954 0.79 PIM1 (0.43) TUBB1HPGDAPPALDH1A1PTGS2
SCHEMBL5305701 0.78 TSHR (0.47) LMNAAPPALDH1A1
SCHEMBL5305706 0.78 TSHR (0.47) LMNAAPPALDH1A1
SCHEMBL27958741 0.78 CA12 (0.44) LMNATNFRSF1AMAPTCYP2C19ALDH1A1
SCHEMBL28818592 0.76 TTR (0.43) TUBB1MEN1KMT2ALMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 US disclosed
US-7576099-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2009-08-18 US disclosed
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. 2008-12-04 US disclosed
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2006-08-31 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 (3 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-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 TUBB1 1151/4885MEN1 4500/4885KMT2A 4280/4885
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 TUBB1 1240/4885MEN1 4561/4885KMT2A 4331/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 TUBB1 1240/4885MEN1 4561/4885KMT2A 4331/4885

“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.