SCHEMBL5566972

SCHEMBL5566972

CC(F)c1cc(O)nc(CC(N)C(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.40
USP2 O75604 3/20 0.40
ALOX15 P16050 2/20 0.40
HIF1A Q16665 2/20 0.40
KDM4E B2RXH2 2/20 0.40
RECQL P46063 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
PKM P14618 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
THRB P10828 2/20 0.40
KMT2A Q03164 2/20 0.40
RGS12 O14924 1/20 0.40
NFKB1 P19838 1/20 0.40
CASP1 P29466 1/20 0.40
BRCA1 P38398 1/20 0.40
THPO P40225 1/20 0.40
CASP7 P55210 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
SCHEMBL5567186 0.77 CYP1A2 (0.46) HSD17B10USP2ALOX15HIF1AKDM4E
SCHEMBL5561708 0.77 SLC7A5 (0.43) HSD17B10USP2ALOX15HIF1AKDM4E
SCHEMBL5566973 0.74 SLC7A5 (0.41) HSD17B10USP2ALOX15HIF1AKDM4E
SCHEMBL5560145 0.74 SLC7A5 (0.50) HSD17B10USP2ALOX15HIF1AKDM4E
SCHEMBL5560722 0.72 TPH1 (0.44) HSD17B10USP2ALOX15HIF1AKDM4E
SCHEMBL5560804 0.70 CYP1A2 (0.50) HSD17B10RECQLPKMALDH1A1MAPT
SCHEMBL6024170 0.69 SLC7A5 (0.61) HSD17B10USP2ALOX15HIF1AKDM4E
SCHEMBL9952991 0.69 CYP1A2 (0.57) HSD17B10USP2ALOX15HIF1AKDM4E
SCHEMBL5560773 0.69 SLC7A5 (0.41) HSD17B10USP2ALOX15HIF1AKDM4E
SCHEMBL5566682 0.68 SLC7A5 (0.57) HSD17B10USP2ALOX15HIF1AKDM4E

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.