SCHEMBL5566211

SCHEMBL5566211

NC(Cc1ncc(O)cc1CF)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.44
USP2 O75604 3/20 0.44
ALOX15 P16050 3/20 0.44
KDM4E B2RXH2 3/20 0.44
CYP3A4 P08684 3/20 0.44
HIF1A Q16665 2/20 0.44
RECQL P46063 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
NFKB1 P19838 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
BLM P54132 2/20 0.44
PMP22 Q01453 2/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
RGS12 O14924 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
CASP1 P29466 1/20 0.44

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
SCHEMBL5561208 0.89 HSD17B10 (0.42) HSD17B10USP2ALOX15KDM4ECYP3A4
SCHEMBL5563444 0.83 HSD17B10 (0.45) HSD17B10USP2ALOX15KDM4ECYP3A4
SCHEMBL5561205 0.77 USP2 (0.40) HSD17B10USP2ALOX15KDM4ECYP3A4
SCHEMBL5560781 0.75 CYP1A2 (0.48) HSD17B10KDM4EHIF1ALMNAMAPT
SCHEMBL5565921 0.74 KDM4E (0.54) HSD17B10USP2ALOX15KDM4ECYP3A4
SCHEMBL5564602 0.74 KDM4E (0.54) HSD17B10USP2ALOX15KDM4ECYP3A4
SCHEMBL9848007 0.74 KDM4E (0.54) HSD17B10USP2ALOX15KDM4ECYP3A4
SCHEMBL9847981 0.73 USP2 (0.50) HSD17B10USP2ALOX15KDM4ECYP3A4
SCHEMBL5560784 0.72 SLC7A5 (0.42) HSD17B10USP2ALOX15KDM4ECYP3A4
SCHEMBL9848020 0.72 ALOX15 (0.45) HSD17B10USP2ALOX15KDM4ECYP3A4

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
US-7189383-B2 Radioactively labelled amino acid analogues, their preparation and use MALLINCKRODT INC. 2007-03-13 US claimed
US-20060127306-A1 Radioactively labelled amino acid analogues, their preparation and use VRIJE UNIVERSITEIT BRUSSEL (BE) 2006-06-15 US claimed

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-20060127306-A1 Radioactively labelled amino acid analogues, their preparation and use BCAT1, BCAT2, SLC1A5 HSD17B10 2307/4885USP2 3416/4885ALOX15 3080/4885

“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.