SCHEMBL17440955

SCHEMBL17440955

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSA P10619 9/20 0.40
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
GRM5 P41594 1/20 0.36
S1PR2 O95136 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR3 Q99500 1/20 0.36
UCHL1 P09936 1/20 0.35
USP5 P45974 1/20 0.35
USP9X Q93008 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
STAT3 P40763 1/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PPARG P37231 2/20 0.33
NTRK1 P04629 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
SCHEMBL19124365 0.89 CTSA (0.39) CTSAALDH1A1HPGDGRM5S1PR2
SCHEMBL17449453 0.82 IRAK4 (0.38) ALDH1A1HPGDIRAK4LMNASMN1; SMN2
SCHEMBL17440495 0.79 ALDH1A1 (0.39) CTSAALDH1A1HPGDGRM5S1PR2
SCHEMBL17440631 0.77 ALDH1A1 (0.37) CTSAALDH1A1HPGDGRM5S1PR2
SCHEMBL16397013 0.77 STAT3 (0.42) CTSAALDH1A1HPGDGRM5S1PR2
SCHEMBL2771153 0.77 IRAK4 (0.41) CTSAALDH1A1HPGDGRM5S1PR2
SCHEMBL67946 0.74 IRAK4 (0.39) CTSAALDH1A1HPGDGRM5S1PR2
SCHEMBL17440911 0.74 IRAK4 (0.41) CTSAALDH1A1HPGDGRM5IRAK4
SCHEMBL17441067 0.72 IRAK4 (0.36) CTSAALDH1A1HPGDGRM5IRAK4
SCHEMBL17440700 0.72 IRAK4 (0.35) CTSAALDH1A1HPGDUCHL1USP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10577367-B2 IRAK4 inhibiting agents BIOGEN MA INC. (US) 2020-03-03 US disclosed
US-20190248787-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. 2019-08-15 US disclosed
US-10246456-B2 IRAK4 inhibiting agents BIOGEN MA INC. (US) 2019-04-02 US disclosed
US-20170204093-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. 2017-07-20 US disclosed
WO-2016011390-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. (US) 2016-01-21 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 (4 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-10246456-B2 IRAK4 inhibiting agents IRAK4, IRAK1, IRAK2 CTSA 1808/4885ALDH1A1 3021/4885HPGD 4658/4885
US-20170204093-A1 IRAK4 INHIBITING AGENTS IRAK4, IRAK1, IRAK2 CTSA 1808/4885ALDH1A1 3021/4885HPGD 4658/4885
US-20190248787-A1 IRAK4 INHIBITING AGENTS IRAK4, IRAK1, IRAK2 CTSA 1970/4885ALDH1A1 3110/4885HPGD 4619/4885
US-10577367-B2 IRAK4 inhibiting agents IRAK4, IRAK1, IRAK2 CTSA 1970/4885ALDH1A1 3110/4885HPGD 4619/4885

“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.