SCHEMBL5565362

SCHEMBL5565362

NC(Cc1cc(CCF)ccn1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.48
CYP1A2 P05177 1/20 0.47
SLC7A5 Q01650 3/20 0.44
PTGS1 P23219 2/20 0.44
PKM P14618 2/20 0.44
ALPI P09923 1/20 0.44
XIAP P98170 1/20 0.44
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
EGFR P00533 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ALOX15 P16050 1/20 0.42
HTR2A P28223 1/20 0.42
PTGS2 P35354 1/20 0.42
RECQL P46063 1/20 0.42
HIF1A Q16665 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GRIA2 P42262 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
SCHEMBL5566353 0.88 HSD17B10 (0.50) HSD17B10CYP1A2SLC7A5PTGS1PKM
SCHEMBL18995811 0.86 HSD17B10 (0.51) HSD17B10CYP1A2SLC7A5PTGS1PKM
SCHEMBL24248055 0.86 HSD17B10 (0.51) HSD17B10CYP1A2SLC7A5PTGS1PKM
SCHEMBL15495937 0.83 HSD17B10 (0.51) HSD17B10CYP1A2SLC7A5PTGS1PKM
SCHEMBL5560727 0.79 SLC7A5 (0.45) HSD17B10CYP1A2SLC7A5PTGS1PKM
SCHEMBL22775125 0.78 CYP1A2 (0.51) HSD17B10CYP1A2SLC7A5PTGS1PKM
SCHEMBL8000728 0.78 CYP1A2 (0.51) HSD17B10CYP1A2SLC7A5PTGS1PKM
SCHEMBL5566973 0.78 SLC7A5 (0.41) HSD17B10CYP1A2SLC7A5PTGS1PKM
SCHEMBL5564823 0.77 SLC7A5 (0.61) HSD17B10SLC7A5PTGS1PKMALPI
SCHEMBL5565425 0.76 SLC7A5 (0.65) HSD17B10CYP1A2SLC7A5PTGS1PKM

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 9 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
EP-1539250-A1 RADIOACTIVELY LABELLED AMINO ACID ANALOGUES, THEIR PREPARATION AND USE Mallinckrodt Inc. (US) 2005-06-15 EP claimed
WO-2004110500-A1 RADIOACTIVELY LABELLED AMINO ACID ANALOGUES, THEIR PREPARATION AND USE MALLINCKRODT INC. (US) 2004-12-23 WO claimed
US-20070081941-A1 F-18 Labeled Amino Acid Analogs MALLINCKRODT INC. (US) 2007-04-12 US disclosed
US-7189383-B2 Radioactively labelled amino acid analogues, their preparation and use MALLINCKRODT INC. 2007-03-13 US disclosed
US-20060127306-A1 Radioactively labelled amino acid analogues, their preparation and use VRIJE UNIVERSITEIT BRUSSEL (BE) 2006-06-15 US disclosed
EP-1539250-A1 RADIOACTIVELY LABELLED AMINO ACID ANALOGUES, THEIR PREPARATION AND USE Mallinckrodt Inc. (US) 2005-06-15 EP disclosed
WO-2004110500-A1 RADIOACTIVELY LABELLED AMINO ACID ANALOGUES, THEIR PREPARATION AND USE MALLINCKRODT INC. (US) 2004-12-23 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 (2 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-20070081941-A1 F-18 Labeled Amino Acid Analogs BCAT1, BCAT2, SLC1A5 HSD17B10 2197/4885CYP1A2 575/4885SLC7A5 9/4885
US-20060127306-A1 Radioactively labelled amino acid analogues, their preparation and use BCAT1, BCAT2, SLC1A5 HSD17B10 2307/4885CYP1A2 150/4885SLC7A5 8/4885

“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.