SCHEMBL1647722

SCHEMBL1647722

NC(N)C(S)(C(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
SLC7A11 Q9UPY5 1/20 0.33
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL9307553 0.69 ALDH1A1 (0.36) PTGS1ALDH1A1MAPTTP53TSHR
SCHEMBL8712173 0.65
SCHEMBL2128606 0.63
SCHEMBL3315318 0.61
SCHEMBL3067690 0.60 ALDH1A1 (0.40) PTGS1ALDH1A1MAPTTP53TSHR
SCHEMBL8715609 0.60
Ammonia Solution, Strong SCHEMBL9345860 0.60
SCHEMBL8715819 0.60
SCHEMBL12238381 0.60
SCHEMBL1425816 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008064040-A2 METHODS AND COMPOSITIONS USING CHELATOR-ANTIBODY CONJUGATES THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-05-29 WO claimed
US-20170281806-A1 CHELATOR-TARGETING LIGAND CONJUGATES FOR CARDIOVASCULAR IMAGING CELL>POINT LLC (US) 2017-10-05 US disclosed
US-20110085969-A1 CHELATOR-TARGETING LIGAND CONJUGATES FOR CARDIOVASCULAR IMAGING CELL>POINT, LLC 2011-04-14 US disclosed
WO-2011044377-A2 CHELATOR-TARGETING LIGAND CONJUGATES FOR CARDIOVASCULAR IMAGING CELL POINT, LLC (US) 2011-04-14 WO disclosed
US-20100104511-A1 METHODS AND COMPOSITIONS USING CHELATOR-ANTIBODY CONJUGATES THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-04-29 US disclosed
WO-2008064040-A2 METHODS AND COMPOSITIONS USING CHELATOR-ANTIBODY CONJUGATES THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-05-29 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 (3 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-20170281806-A1 CHELATOR-TARGETING LIGAND CONJUGATES FOR CARDIOVASCULAR IMAGING SLC2A8, SLC2A1, SLC2A2 PTGS1 4152/4885ALDH1A1 3309/4885MAPT 4039/4885
US-20110085969-A1 CHELATOR-TARGETING LIGAND CONJUGATES FOR CARDIOVASCULAR IMAGING SLC2A8, SLC2A1, SLC2A2 PTGS1 4152/4885ALDH1A1 3309/4885MAPT 4039/4885
US-20100104511-A1 METHODS AND COMPOSITIONS USING CHELATOR-ANTIBODY CONJUGATES ERBB2, EGFR, ERBB3 PTGS1 4822/4885ALDH1A1 4692/4885MAPT 2140/4885

“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.