SCHEMBL23352602

SCHEMBL23352602

CC(C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)CCCCN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 7/20 0.42
▸ ITGA2B P08514 7/20 0.42
▸ SLC6A5 Q9Y345 1/20 0.41
▸ FOLH1 Q04609 2/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ EPHX2 P34913 2/20 0.37
▸ NMT2 O60551 1/20 0.37
▸ NMT1 P30419 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ BLM P54132 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ PLG P00747 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ RECQL P46063 1/20 0.36

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
SCHEMBL17746974 0.86 KMT2A (0.43) KMT2AEPHX2
SCHEMBL17746976 0.86 KMT2A (0.43) KMT2AEPHX2
SCHEMBL29976188 0.86 NOD1 (0.50) SLC6A5KMT2AEPHX2MEN1
SCHEMBL20450527 0.85 SLC6A5 (0.50) ITGB3ITGA2BSLC6A5FOLH1KMT2A
SCHEMBL20450528 0.85 SLC6A5 (0.50) ITGB3ITGA2BSLC6A5FOLH1KMT2A
SCHEMBL26616331 0.84 FOLH1 (0.46) ITGB3ITGA2BSLC6A5FOLH1KMT2A
SCHEMBL24630329 0.83 SLC6A5 (0.46) ITGB3ITGA2BSLC6A5FOLH1KMT2A
SCHEMBL24630326 0.83 SLC6A5 (0.46) ITGB3ITGA2BSLC6A5FOLH1KMT2A
SCHEMBL29336456 0.82 SLC6A5 (0.48) SLC6A5FOLH1KMT2ANMT2NMT1
SCHEMBL24235669 0.81 KMT2A (0.53) ITGB3ITGA2BSLC6A5FOLH1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210139549-A1 COMPOUND HAVING AFFINITY SUBSTANCE TO ANTIBODY, CLEAVABLE PORTION, AND REACTIVE GROUP, OR SALT THEREOF AJINOMOTO CO., INC. (JP) 2021-05-13 — — 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 (1 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-20210139549-A1 COMPOUND HAVING AFFINITY SUBSTANCE TO ANTIBODY, CLEAVABLE PORTION, AND REACTIVE GROUP, OR SALT THEREOF FCGR3B, FCGR2A, FCGR1A ITGB3 3024/4885ITGA2B 1144/4885SLC6A5 630/4885

“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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