SCHEMBL67946

SCHEMBL67946

CC(C)(C)C(NC(=O)O)c1cccc(Br)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.39
GRM5 P41594 2/20 0.38
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
STAT3 P40763 1/20 0.35
S1PR2 O95136 1/20 0.35
S1PR4 O95977 1/20 0.35
S1PR3 Q99500 1/20 0.35
CTSA P10619 1/20 0.34
NTRK1 P04629 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
UCHL1 P09936 1/20 0.32
USP5 P45974 1/20 0.32
USP9X Q93008 1/20 0.32
PPARG P37231 2/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL16397013 0.80 STAT3 (0.42) IRAK4GRM5ALDH1A1HPGDSTAT3
SCHEMBL17440955 0.74 CTSA (0.40) IRAK4GRM5ALDH1A1HPGDSTAT3
SCHEMBL2099345 0.73 KDM4E (0.41) ALDH1A1S1PR2S1PR4S1PR3MEN1
SCHEMBL3511517 0.72 SIRT2 (0.39) IRAK4GRM5ALDH1A1HPGDSTAT3
SCHEMBL31691953 0.72 GABRB1 (0.46) IRAK4CNR2MEN1KMT2A
SCHEMBL30912400 0.72 GABRB1 (0.46) IRAK4CNR2MEN1KMT2A
SCHEMBL6648424 0.72 IRAK4 (0.39) IRAK4GRM5S1PR2S1PR4S1PR3
SCHEMBL14124549 0.72 IRAK4 (0.39) IRAK4GRM5S1PR2S1PR4S1PR3
SCHEMBL13584896 0.72 S1PR2 (0.42) IRAK4ALDH1A1HPGDSTAT3S1PR2
SCHEMBL12541474 0.72 SMN1; SMN2 (0.42) ALDH1A1S1PR3NTRK1MEN1LMNA

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-1814871-B1 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2011-03-02 EP disclosed
US-20080255183-A1 N-[HETEROARYLCARBONYL]-3-THIENYL-L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS ASTRAZENECA AB (SE) 2008-10-16 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-20080255183-A1 N-[HETEROARYLCARBONYL]-3-THIENYL-L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS ITGA2B, ITGB1, ITGB5 IRAK4 3650/4885GRM5 618/4885ALDH1A1 559/4885

“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.