SCHEMBL973923

SCHEMBL973923

Nc1nc2ncc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)ON4C(=O)CCC4=O)cc3)nc2c(=O)[nH]1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYMS P04818 2/20 0.76
KDM4E B2RXH2 1/20 0.76
MEN1 O00255 1/20 0.76
ALDH1A1 P00352 1/20 0.76
POLB P06746 1/20 0.76
GAA P10253 1/20 0.76
AKR1B1 P15121 1/20 0.76
HPGD P15428 1/20 0.76
TSHR P16473 1/20 0.76
PTGS2 P35354 1/20 0.76
KMT2A Q03164 1/20 0.76
HSD17B10 Q99714 1/20 0.76
TDP1 Q9NUW8 1/20 0.76
ADORA3 P0DMS8 1/20 0.57
DHFR P00374 5/20 0.52
ATIC P31939 4/20 0.52
GART P22102 3/20 0.52
SHMT1 P34896 1/20 0.46
SHMT2 P34897 1/20 0.46

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
SCHEMBL14947039 0.94 TYMS (0.67) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL20716790 0.90 TYMS (0.62) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL29853494 0.90 TYMS (0.76) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL13658559 0.90 TYMS (0.76) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL434591 0.90 TYMS (0.76) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL24513791 0.89 TYMS (0.65) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL21361683 0.88 TYMS (0.59) TYMSKDM4EMEN1ALDH1A1POLB
Folic Acid SCHEMBL182653 0.88 TYMS (0.87) TYMSKDM4EMEN1ALDH1A1POLB
Folic Acid SCHEMBL28212675 0.88 TYMS (0.85) TYMSKDM4EMEN1ALDH1A1POLB
Folic Acid SCHEMBL3877 0.87 TYMS (1.00) TYMSKDM4EMEN1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230285561-A1 Targeting Microbubbles CALIFORNIA INSTITUTE OF TECHNOLOGY 2023-09-14 US disclosed
US-11642410-B2 Targeting microbubbles CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2023-05-09 US disclosed
US-11642410-B2 Targeting microbubbles CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2023-05-09 US disclosed
US-10357565-B2 Targeting microbubbles CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2019-07-23 US disclosed
US-20190038749-A1 TARGETING MICROBUBBLES CALIFORNIA INSTITUTE OF TECHNOLOGY 2019-02-07 US disclosed
US-20160367669-A1 TARGETING MICROBUBBLES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-12-22 US disclosed
US-20160367669-A1 TARGETING MICROBUBBLES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-12-22 US disclosed
US-20130123781-A1 TARGETING MICROBUBBLES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2013-05-16 US disclosed
US-20130123781-A1 TARGETING MICROBUBBLES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2013-05-16 US disclosed
US-20110020242-A1 HIGH-DENSITY LIPOPROTEIN-LIKE PEPTIDE-PHOSPHOLIPID SCAFFOLD (\"HPPS\") NANOPARTICLES UNIVERSITY HEALTH NETWORK (CA) 2011-01-27 US disclosed
EP-2229411-A1 HIGH-DENSITY LIPOPROTEIN-LIKE PEPTIDE-PHOSPHOLIPID SCAFFOLD (\"HPPS\") NANOPARTICLES University Health Network (CA) 2010-09-22 EP disclosed
WO-2009073984-A1 HIGH-DENSITY LIPOPROTEIN-LIKE PEPTIDE-PHOSPHOLIPID SCAFFOLD ('HPPS') NANOPARTICLES UNIVERSITY HEALTH NETWORK (CA) 2009-06-18 WO disclosed
US-20080253960-A1 Lipoprotein-Based Nanoplatforms THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA CENTER FOR TECHNOLOGY TRANSFER (US) 2008-10-16 US disclosed
EP-1778298-A2 LIPOPROTEIN NANOPLATFORMS The Trustees of The University of Pennsylvania (US) 2007-05-02 EP disclosed
WO-2006073419-A2 LIPOPROTEIN NANOPLATFORMS ZHENG GANG (US) 2006-07-13 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 (7 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-20130123781-A1 TARGETING MICROBUBBLES PGF, EDNRB, FLT4 TYMS 1681/4885KDM4E 3320/4885MEN1 1071/4885
US-20190038749-A1 TARGETING MICROBUBBLES PGF, EDNRB, FLT4 TYMS 1681/4885KDM4E 3320/4885MEN1 1071/4885
US-10357565-B2 Targeting microbubbles PGF, EDNRB, FLT4 TYMS 1681/4885KDM4E 3320/4885MEN1 1071/4885
US-20230285561-A1 Targeting Microbubbles PGF, EDNRB, FLT4 TYMS 1681/4885KDM4E 3320/4885MEN1 1071/4885
US-20160367669-A1 TARGETING MICROBUBBLES PGF, EDNRB, FLT4 TYMS 1681/4885KDM4E 3320/4885MEN1 1071/4885
US-11642410-B2 Targeting microbubbles PGF, EDNRB, FLT4 TYMS 1681/4885KDM4E 3320/4885MEN1 1071/4885
US-20080253960-A1 Lipoprotein-Based Nanoplatforms LDLR, APOL1, LRP6 TYMS 4811/4885KDM4E 4504/4885MEN1 4253/4885

“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.