SCHEMBL20397515

SCHEMBL20397515

CC(=O)NC(CS)C(=O)NC(C)C(=O)NC(Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ THPO P40225 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ACE P12821 2/20 0.37
▸ ECE1 P42892 4/20 0.37
▸ MME P08473 5/20 0.36
▸ GNPAT O15228 1/20 0.34

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
SCHEMBL20397511 1.00 KDM4E (0.43) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL18921925 0.91 ACE (0.35) ACEECE1MMEGNPAT
SCHEMBL25355936 0.90 ACE (0.36) ACEECE1MMEGNPAT
SCHEMBL29461561 0.89 ACE (0.36) ACEECE1MME
SCHEMBL29461611 0.87 BACE1 (0.39) ACEECE1MME
SCHEMBL29912552 0.86 ACE (0.39) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL29476103 0.86 FNTA (0.40) ACEECE1MME
SCHEMBL29615112 0.86 FNTA (0.40) ACEECE1MME
SCHEMBL29511053 0.86 FNTA (0.40) ACEECE1MME
SCHEMBL29461716 0.85 ACE (0.40) ACEECE1MME

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-20210000972-A1 NANOPARTICLES FOR SUSTAINED OPHTHALMIC DRUG DELIVERY AND METHODS OF USE NEWPORT SCIENTIFIC, INC. 2021-01-07 — — US disclosed
US-20180207293-A1 NANOPARTICLES FOR SUSTAINED OPHTHALMIC DRUG DELIVERY AND METHODS OF USE NEWPORT SCIENTIFIC, INC. 2018-07-26 — — 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-20180207293-A1 NANOPARTICLES FOR SUSTAINED OPHTHALMIC DRUG DELIVERY AND METHODS OF USE UACA, CRYAA, CRYAB KDM4E 4859/4885MAPT 231/4885THRB 2059/4885
US-20210000972-A1 NANOPARTICLES FOR SUSTAINED OPHTHALMIC DRUG DELIVERY AND METHODS OF USE CHRNA1, CHRNB1, NPY1R KDM4E 4444/4885MAPT 232/4885THRB 153/4885

“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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