SCHEMBL2818149

SCHEMBL2818149

CC(F)(F)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.56
FOLH1 Q04609 1/20 0.54
NAALAD2 Q9Y3Q0 1/20 0.50
MME P08473 7/20 0.49
ACE2 Q9BYF1 2/20 0.49
CPA1 P15085 1/20 0.49
SLC7A5 Q01650 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45

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
SCHEMBL2579588 1.00 ACE (0.56) ACEFOLH1NAALAD2MMEACE2
SCHEMBL8823272 0.87 ACE (0.58) ACEFOLH1NAALAD2MMEACE2
SCHEMBL953389 0.87 FOLH1 (0.56) ACEFOLH1NAALAD2MMEACE2
SCHEMBL8823270 0.87 ACE (0.58) ACEFOLH1NAALAD2MMEACE2
SCHEMBL838885 0.87 FOLH1 (0.56) ACEFOLH1NAALAD2MMEACE2
SCHEMBL27802669 0.85 ACE (0.53) ACEFOLH1NAALAD2MMEACE2
SCHEMBL17393507 0.84 ACE (0.56) ACEFOLH1NAALAD2MMEACE2
SCHEMBL7136038 0.79 FOLH1 (0.51) ACEFOLH1NAALAD2MMEACE2
SCHEMBL1008925 0.78 FOLH1 (0.56) ACEFOLH1NAALAD2MMEACE2
SCHEMBL160418 0.78 FOLH1 (0.60) ACEFOLH1NAALAD2MMEACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230284994-A1 PET-CT IMAGING METHODS, CONTRAST AGENTS AND PHARMACEUTICAL COMPOSITIONS FOR USE IN SAID IMAGING METHODS Adiposs SA (CH) 2023-09-14 US disclosed
EP-4192521-A1 PET-CT IMAGING METHODS, CONTRAST AGENTS AND PHARMACEUTICAL COMPOSITIONS FOR USE IN SAID IMAGING METHODS Adiposs SA (CH) 2023-06-14 EP disclosed
US-20220153790-A1 HIGH AFFINITY ANTICALINS DIRECTED AGAINST HUMAN CD98hc Technische Universität München (DE) 2022-05-19 US disclosed
EP-3947453-A1 HIGH AFFINITY ANTICALINS DIRECTED AGAINST HUMAN CD98HC Technische Universität München (DE) 2022-02-09 EP disclosed
WO-2020193316-A1 HIGH AFFINITY ANTICALINS DIRECTED AGAINST HUMAN CD98HC Technische Universität München (DE) 2020-10-01 WO disclosed
EP-3715370-A1 HIGH AFFINITY ANTICALINS DIRECTED AGAINST HUMAN CD98HC Technische Universität München (DE) 2020-09-30 EP disclosed
US-20100249416-A1 CHEMICAL SYNTHESIS OF I-124BETA CIT IODINE-124 [2-BETA-CARBOMETHOXY-3BETA- (4. -IODOPHENYL) -TROPANE] FOR PET INVESTIGATIONS AND FOR RADIOTHERAPY A.C.O.M ADVANCED CENTER ONCOLOGY MACERATA S.P.A. (IT) 2010-09-30 US disclosed
EP-2212320-A1 CHEMICAL SYNTHESIS OF I-124BETA CIT IODINE-124 [2-BETA-CARBOMETHOXY-3BETA- (4. -IODOPHENYL) -TROPANE] FOR PET INVESTIGATIONS AND FOR RADIOTHERAPY A.C.O.M. Advanced Center Oncology Macerata S.p.a. (IT) 2010-08-04 EP disclosed
WO-2009141137-A2 NEW MOLECULE [124I][2-(3'-IODO-4'-METHYLAMINOPHENYL)-6-HYDROXY-BENZOTHIALZOLE] FOR PET INVESTIGATIONS AND RADIOTHERAPY SPARKLE S.R.L. (IT) 2009-11-26 WO disclosed
WO-2009046897-A1 CHEMICAL SYNTHESIS OF I-124BETA CIT IODINE-124 [2-BETA-CARBOMETHOXY-3BETA- (4. -IODOPHENYL) -TROPANE] FOR PET INVESTIGATIONS AND FOR RADIOTHERAPY A.C.O.M ADVANCED CENTER ONCOLOGY MACERATA S.P.A. (IT) 2009-04-16 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-20230284994-A1 PET-CT IMAGING METHODS, CONTRAST AGENTS AND PHARMACEUTICAL COMPOSITIONS FOR USE IN SAID IMAGING METHODS FABP4, PLIN5, PLIN3 ACE 3206/4885FOLH1 199/4885NAALAD2 3780/4885
US-20100249416-A1 CHEMICAL SYNTHESIS OF I-124BETA CIT IODINE-124 [2-BETA-CARBOMETHOXY-3BETA- (4. -IODOPHENYL) -TROPANE] FOR PET INVESTIGATIONS AND FOR RADIOTHERAPY INMT, THRB, TPO ACE 2096/4885FOLH1 758/4885NAALAD2 1393/4885

“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.