SCHEMBL339966

SCHEMBL339966

Cc1cn([C@@]2(F)CC[C@@H](CO)O2)c(=O)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
ALB P02768 2/20 0.41
BLM P54132 2/20 0.41
POLB P06746 1/20 0.41
ADRA1A P35348 1/20 0.41
TK1 P04183 6/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PKM P14618 1/20 0.36
PMP22 Q01453 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL30841853 1.00 ALDH1A1 (0.41) ALDH1A1LMNAALBBLMPOLB
SCHEMBL4748323 0.88 TK1 (0.35) ALDH1A1LMNAALBBLMPOLB
SCHEMBL4749295 0.86 PYGM (0.39) ALDH1A1LMNAALBBLMPOLB
SCHEMBL2633815 0.84 LMNA (0.41) ALDH1A1LMNAALBBLMPOLB
SCHEMBL2012504 0.84 ALDH1A1 (0.43) ALDH1A1LMNAALBBLMPOLB
SCHEMBL28765909 0.84 LMNA (0.42) ALDH1A1LMNAALBBLMPOLB
SCHEMBL8412869 0.83 ALDH1A1 (0.40) ALDH1A1LMNAALBBLMPOLB
SCHEMBL1878105 0.82 ALDH1A1 (0.43) ALDH1A1LMNAALBBLMPOLB
SCHEMBL3611848 0.82 LMNA (0.41) ALDH1A1LMNAALBBLMPOLB
SCHEMBL27583424 0.82 ALDH1A1 (0.41) ALDH1A1LMNAALBBLMPOLB

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 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2858681-A2 RADIOLABELED ANALOG(S) OF COMPOUND 0118 AND USE THEREOF IN CONNECTION WITH PET AND/OR SPECT IMAGING TO DETERMINE WHETHER A PHARMACEUTICAL CONTAINING COMPOUND 0118 IS A CANDIDATE CANCER TREATMENT FOR A PATIENT Koninklijke Philips N.V. (NL) 2015-04-15 EP claimed
US-8980222-B2 Diagnostic use of endothelin ETB receptor agonists and ETA receptor antagonists in tumor imaging THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-03-17 US claimed
WO-2013186690-A2 RADIOLABELED ANALOG(S) OF COMPOUND 0118 AND USE THEREOF IN CONNECTION WITH PET AND/OR SPECT IMAGING TO DETERMINE WHETHER A PHARMACEUTICAL CONTAINING COMPOUND 0118 IS A CANDIDATE CANCER TREATMENT FOR A PATIENT KONINKLIJKE PHILIPS N.V. (NL) 2013-12-19 WO claimed
EP-2542155-A2 CANCER DIAGNOSIS AND IMAGING TAU Therapeutics LLC (US) 2013-01-09 EP claimed
US-20120321561-A1 CANCER DIAGNOSIS AND IMAGING TAU THERAPEUTICS LLC (US) 2012-12-20 US claimed
WO-2011109262-A2 CANCER DIAGNOSIS AND IMAGING TAU THERAPEUTICS LLC (US) 2011-09-09 WO claimed
WO-2009063254-A2 THYMIDINE KINASE ASSAY UNIVERSITY OF ABERTAY, DUNDEE (GB) 2009-05-22 WO claimed
US-20080260634-A1 Diagnostic Use of Endothelin Etb Receptor Agonists and Eta Receptor Antagonists in Tumor Imaging DONEHEW FUND LIMITED PARTNERSHIP 2008-10-23 US claimed
EP-1909853-A2 IMAGING PROTOCOLS Spectrum Dynamics LLC (US) 2008-04-16 EP claimed
WO-2008010227-A2 IMAGING PROTOCOLS SPECTRUM DYNAMICS LLC (US) 2008-01-24 WO claimed
EP-1819367-A2 USE OF ENDOTHELIN ETB RECEPTOR AGONISTS AND ETA RECEPTOR ANTAGONISTS IN TUMOR IMAGING THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-08-22 EP claimed
WO-2007010534-A2 IMAGING PROTOCOLS SPECTRUM DYNAMICS LLC (US) 2007-01-25 WO claimed
US-7145000-B2 Markable compounds for easy synthesis of 3'-[18F] fluoro-3'-deoxynucleotides, and method for their production DEUTSCHES KREBSFORSCHUNGSZENTRUM STIFTUNG DES OFFENTLICHEN RECHTS (DE) 2006-12-05 US claimed
WO-2006057988-A2 USE OF ENDOTHELIN ETB RECEPTOR AGONISTS AND ETA RECEPTOR ANTAGONISTS IN TUMOR IMAGING THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2006-06-01 WO claimed
US-20050143338-A1 1-(2,5'-Anhydro-lyxofuranosyl) thymines for the synthesis of radiomarked fluoro-3 deoxynucleotides DEUTSCHES KREBSFORSCHUNGSZENTRUM STIFTUNG DES OFFENTLICHEN RECHTS (DE) 2005-06-30 US claimed
WO-1991000867-A1 5'-DIPHOSPHOHEXOSE NUCLEOSIDE PHARMACEUTICAL COMPOSITIONS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1991-01-24 WO claimed
CN-118679145-A Biomolecule-polymer-agent conjugates for delivery of agents 麻省理工学院 2024-09-20 CN disclosed
US-20240296559-A1 SYSTEMS AND METHODS FOR CHARACTERIZING INTRA-TUMOR REGIONS ON QUANTITATIVE ULTRASOUND PARAMETRIC IMAGES TO PREDICT CANCER RESPONSE TO CHEMOTHERAPY AT PRE-TREATMENT Sunnybrook Research Institute (CA) 2024-09-05 US disclosed
WO-2005082894-A1 CELL TARGETING CONJUGATES PETER MACCALLUM CANCER INSTITUTE (AU) 2005-09-09 WO disclosed
US-20050143338-A1 1-(2,5'-Anhydro-lyxofuranosyl) thymines for the synthesis of radiomarked fluoro-3 deoxynucleotides DEUTSCHES KREBSFORSCHUNGSZENTRUM STIFTUNG DES OFFENTLICHEN RECHTS (DE) 2005-06-30 US 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-20050143338-A1 1-(2,5'-Anhydro-lyxofuranosyl) thymines for the synthesis of radiomarked fluoro-3 deoxynucleotides NT5C3B, OGG1, XRN2 ALDH1A1 2884/4885LMNA 291/4885ALB 3200/4885
US-20080260634-A1 Diagnostic Use of Endothelin Etb Receptor Agonists and Eta Receptor Antagonists in Tumor Imaging EDNRB, EDNRA, ECE1 ALDH1A1 4623/4885LMNA 1626/4885ALB 4416/4885

“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.