SCHEMBL1405006

SCHEMBL1405006

CC(=O)CCc1ccccc1NC(=O)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
LMNA P02545 1/20 0.51
AR P10275 1/20 0.47
IAPP P10997 1/20 0.44
JAK2 O60674 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
KLK7 P49862 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ANO1 Q5XXA6 1/20 0.41
PDK1 Q15118 3/20 0.41
PDK2 Q15119 3/20 0.41
PDK3 Q15120 3/20 0.41
PDK4 Q16654 3/20 0.41
POLB P06746 1/20 0.40
GAA P10253 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
SCHEMBL1404979 0.82 ALDH1A1 (0.54) ALDH1A1LMNAIAPPHTTPOLB
SCHEMBL8134750 0.81 AR (0.51) ALDH1A1ARJAK2TP53MAPT
SCHEMBL27778032 0.80 ALDH1A1 (0.49) ALDH1A1LMNAIAPPHTTPOLB
SCHEMBL9991690 0.80 TRPV1 (0.54) ALDH1A1ARJAK2TP53MAPT
SCHEMBL12849679 0.79 TRPV1 (0.50) ARJAK2TP53MAPTHTT
SCHEMBL6969 0.78 AR (0.51) ALDH1A1ARJAK2TP53MAPT
SCHEMBL1405181 0.77 AR (0.41) ALDH1A1ARJAK2TP53MAPT
SCHEMBL3600530 0.75 L3MBTL1 (0.59) ALDH1A1JAK2TP53MAPTHTT
SCHEMBL8709315 0.74 AR (0.44) ARJAK2TP53MAPTHTT
SCHEMBL1405115 0.74 ALDH1A1 (0.53) ALDH1A1LMNAIAPPMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079747-B1 HETEROCYCLIC COMPOUNDS USEFUL AS ANABOLIC AGENTS FOR LIVESTOCK ANIMALS PFIZER LTD (GB) 2011-03-09 EP disclosed
US-20080161288-A1 COMPOUNDS PFIZER INC. 2008-07-03 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-20080161288-A1 COMPOUNDS ADRB2, ADRB1, ADRA2C ALDH1A1 295/4885LMNA 1543/4885AR 904/4885

“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.