SCHEMBL22758155

SCHEMBL22758155

CC(C)CCC(NC(=O)c1ccc(NCc2cnc3nc(N)[nH]c(=O)c3n2)cc1)C(=O)O

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 4/20 0.83
▸ AKR1B1 P15121 4/20 0.83
▸ KDM4E B2RXH2 1/20 0.83
▸ MEN1 O00255 1/20 0.83
▸ ALDH1A1 P00352 1/20 0.83
▸ POLB P06746 1/20 0.83
▸ GAA P10253 1/20 0.83
▸ HPGD P15428 1/20 0.83
▸ TSHR P16473 1/20 0.83
▸ PTGS2 P35354 1/20 0.83
▸ KMT2A Q03164 1/20 0.83
▸ HSD17B10 Q99714 1/20 0.83
▸ TDP1 Q9NUW8 1/20 0.83
▸ ADORA3 P0DMS8 1/20 0.60
▸ DHFR P00374 5/20 0.55
▸ GART P22102 2/20 0.55
▸ ATIC P31939 2/20 0.55

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
SCHEMBL22758092 1.00 TYMS (0.83) TYMSAKR1B1KDM4EMEN1ALDH1A1
SCHEMBL13575164 0.92 TYMS (0.84) TYMSAKR1B1KDM4EMEN1ALDH1A1
SCHEMBL13011046 0.92 TYMS (0.84) TYMSAKR1B1KDM4EMEN1ALDH1A1
SCHEMBL21664561 0.91 TYMS (0.85) TYMSAKR1B1KDM4EMEN1ALDH1A1
SCHEMBL25932804 0.91 TYMS (0.82) TYMSAKR1B1KDM4EMEN1ALDH1A1
SCHEMBL22618801 0.91 TYMS (0.85) TYMSAKR1B1KDM4EMEN1ALDH1A1
SCHEMBL844389 0.91 TYMS (0.85) TYMSAKR1B1KDM4EMEN1ALDH1A1
SCHEMBL18897683 0.91 TYMS (0.85) TYMSAKR1B1KDM4EMEN1ALDH1A1
Folic Acid SCHEMBL28885431 0.91 TYMS (0.94) TYMSAKR1B1KDM4EMEN1ALDH1A1
SCHEMBL13509378 0.91 TYMS (0.87) TYMSAKR1B1KDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11638717-B2 Complex of nucleic acid medicine and multibranched lipid SHIONOGI & CO., LTD. (JP) 2023-05-02 — — US disclosed
US-11638717-B2 Complex of nucleic acid medicine and multibranched lipid SHIONOGI & CO., LTD. (JP) 2023-05-02 — — US disclosed
US-20200384010-A1 COMPLEX OF NUCLEIC ACID MEDICINE AND MULTIBRANCHED LIPID SHIONOGI & CO., LTD. (JP) 2020-12-10 — — 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-11638717-B2 Complex of nucleic acid medicine and multibranched lipid FABP1, POLRMT, SREBF1 TYMS 691/4885AKR1B1 2035/4885KDM4E 3088/4885
US-20200384010-A1 COMPLEX OF NUCLEIC ACID MEDICINE AND MULTIBRANCHED LIPID FABP1, POLRMT, SREBF1 TYMS 691/4885AKR1B1 2035/4885KDM4E 3088/4885

“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.

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