SCHEMBL20716790

SCHEMBL20716790

Nc1nc2ncc(CNc3ccc(C(=O)NC(CCC(=O)OC4C(=O)CCC4=O)C(=O)ON4C(=O)CCC4=O)cc3)nc2c(=O)[nH]1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYMS P04818 3/20 0.62
KDM4E B2RXH2 1/20 0.62
MEN1 O00255 1/20 0.62
ALDH1A1 P00352 1/20 0.62
POLB P06746 1/20 0.62
GAA P10253 1/20 0.62
AKR1B1 P15121 1/20 0.62
HPGD P15428 1/20 0.62
TSHR P16473 1/20 0.62
PTGS2 P35354 1/20 0.62
KMT2A Q03164 1/20 0.62
HSD17B10 Q99714 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
ADORA3 P0DMS8 1/20 0.46
DHFR P00374 6/20 0.43
GART P22102 1/20 0.43
ATIC P31939 1/20 0.43
NOS1 P29475 2/20 0.39

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 0.93 TYMS (0.67) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL973923 0.90 TYMS (0.76) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL434591 0.88 TYMS (0.76) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL13658559 0.88 TYMS (0.76) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL29853494 0.88 TYMS (0.76) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL20386936 0.84 TYMS (0.61) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL24513791 0.84 TYMS (0.65) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL28249716 0.83 TYMS (0.52) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL3577874 0.82 TYMS (0.74) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL21361684 0.82 TYMS (0.51) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-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

“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.