SCHEMBL434591

SCHEMBL434591

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

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYMS P04818 3/20 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 7/20 0.52
GART P22102 2/20 0.52
ATIC P31939 2/20 0.52

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
SCHEMBL13658559 1.00 TYMS (0.76) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL29853494 1.00 TYMS (0.76) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL14947039 0.94 TYMS (0.67) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL14264584 0.92 TYMS (0.67) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL20386936 0.91 TYMS (0.61) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL34465311 0.90 TYMS (0.65) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL26058996 0.90 TYMS (0.61) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL973923 0.90 TYMS (0.76) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL14431105 0.90 TYMS (0.60) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL16965374 0.90 TYMS (0.60) 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 92 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108578705-B Folic acid grafted fullerol adriamycin-loaded prodrug and preparation method and application thereof 浙江医药高等专科学校 2021-10-15 CN claimed
US-20230285561-A1 Targeting Microbubbles CALIFORNIA INSTITUTE OF TECHNOLOGY 2023-09-14 US disclosed
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
CN-114306356-A Folic acid/cis-aconitic anhydride bond adriamycin/human serum albumin (FA/CAD/HSA) composition and preparation method and application thereof 兰州大学 2022-04-12 CN disclosed
US-11224655-B2 Targeting microbubbles CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2022-01-18 US disclosed
CN-108578705-B Folic acid grafted fullerol adriamycin-loaded prodrug and preparation method and application thereof 浙江医药高等专科学校 2021-10-15 CN disclosed
US-20210221835-A1 CARBON-MONOXIDE-RELEASING MOLECULES AND THERAPEUTIC APPLICATIONS THEREOF GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2021-07-22 US disclosed
US-20210128516-A1 CYCLODEXTRIN-BASED POLYMERS FOR DELIVERING THE THERAPEUTIC AGENTS COVALENTLY BOUND THERETO NOVARTIS AG (CH) 2021-05-06 US disclosed
US-8110179-B2 Cyclodextrin-based polymers for therapeutics delivery CERULEAN PHARMA INC. (US) 2012-02-07 US disclosed
US-20110129417-A1 ADMINISTRABLE COMPOSITIONS UNIVERSITY OF SYDNEY (AU) 2011-06-02 US disclosed
EP-2291175-A1 ADMINISTRABLE COMPOSITIONS THE UNIVERSITY OF SYDNEY (AU) 2011-03-09 EP disclosed
WO-2009137890-A1 ADMINISTRABLE COMPOSITIONS THE UNIVERSITY OF SYDNEY (AU) 2009-11-19 WO disclosed
US-20080213379-A1 Tumor environment-induced ligand-expressing nanocarrier system BAE YOU HAN 2008-09-04 US disclosed
US-7371781-B2 Tumor environment-induced ligand-expressing nanocarrier system UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2008-05-13 US disclosed
US-20080058427-A1 Cyclodextrin-based polymers for therapeutics delivery INSERT THERAPEUTICS, INC. (US) 2008-03-06 US disclosed
US-20080058427-A1 Cyclodextrin-based polymers for therapeutics delivery INSERT THERAPEUTICS, INC. (US) 2008-03-06 US disclosed
US-7270808-B2 Having covalently coupled bioactive agent and targeting ligand; controlled release; stability, solubility; reduced toxicity INSERT THERAPEUTICS, INC. (US) 2007-09-18 US disclosed
US-7270808-B2 Having covalently coupled bioactive agent and targeting ligand; controlled release; stability, solubility; reduced toxicity INSERT THERAPEUTICS, INC. (US) 2007-09-18 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 (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-11224655-B2 Targeting microbubbles PGF, EDNRB, FLT4 TYMS 1681/4885KDM4E 3320/4885MEN1 1071/4885
US-20210221835-A1 CARBON-MONOXIDE-RELEASING MOLECULES AND THERAPEUTIC APPLICATIONS THEREOF MB, HMOX1, CYC1 TYMS 2214/4885KDM4E 1031/4885MEN1 2719/4885
US-20080058427-A1 Cyclodextrin-based polymers for therapeutics delivery DDOST, DSC1, SI TYMS 1005/4885KDM4E 3582/4885MEN1 4082/4885
US-20210128516-A1 CYCLODEXTRIN-BASED POLYMERS FOR DELIVERING THE THERAPEUTIC AGENTS COVALENTLY BOUND THERETO SDCBP, DDOST, CD47 TYMS 1034/4885KDM4E 3113/4885MEN1 4023/4885
US-20230285561-A1 Targeting Microbubbles PGF, EDNRB, FLT4 TYMS 1681/4885KDM4E 3320/4885MEN1 1071/4885
US-20110129417-A1 ADMINISTRABLE COMPOSITIONS CYP2B6, LPXN, ELOVL6 TYMS 2649/4885KDM4E 3863/4885MEN1 3503/4885
US-11642410-B2 Targeting microbubbles PGF, EDNRB, FLT4 TYMS 1681/4885KDM4E 3320/4885MEN1 1071/4885

“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.