SCHEMBL19201617

SCHEMBL19201617

CC(C)(C)C(=O)Oc1ccc(NN)cc1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ELANE P08246 16/20 0.63
CA2 P00918 1/20 0.44
PRTN3 P24158 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ROCK2 O75116 1/20 0.42

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
Hydrochloric Acid SCHEMBL20679035 0.98 ELANE (0.61) ELANECA2PRTN3MEN1KMT2A
SCHEMBL22369614 0.84 ELANE (0.86) ELANEPRTN3
SCHEMBL23135278 0.83 ELANE (0.66) ELANEPRTN3MEN1KMT2A
SCHEMBL28702876 0.80 L3MBTL1 (0.68) ELANECA2MEN1KMT2A
SCHEMBL8395395 0.79 ELANE (0.59) ELANEPRTN3MEN1KMT2A
SCHEMBL6668735 0.79 ELANE (0.70) ELANECA2
SCHEMBL2004186 0.79 MAPT (0.61) ELANECA2MEN1KMT2A
SCHEMBL13998362 0.78 ELANE (0.76) ELANEPRTN3
SCHEMBL10483745 0.78 ELANE (1.00) ELANEPRTN3
SCHEMBL8403640 0.78 ELANE (0.81) ELANEPRTN3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3407916-B1 PHOSPHONATE LINKERS AND THEIR USE TO FACILITATE CELLULAR RETENTION OF COMPOUNDS MERCK SHARP & DOHME LLC (US) 2023-12-20 EP disclosed
US-20230147502-A1 PHOSPHONATE LINKERS AND THEIR USE TO FACILIATE CELLULAR RETENTION OF COMPOUNDS MERCK SHARP & DOHME LLC (US) 2023-05-11 US disclosed
US-20230147502-A1 PHOSPHONATE LINKERS AND THEIR USE TO FACILIATE CELLULAR RETENTION OF COMPOUNDS MERCK SHARP & DOHME LLC (US) 2023-05-11 US disclosed
US-20210015930-A1 PHOSPHONATE LINKERS AND THEIR USE TO FACILITATE CELLULAR RETENTION OF COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2021-01-21 US disclosed
US-10869929-B2 Phosphonate linkers and their use to facilitate cellular retention of compounds MERCK SHARP & DOHME CORP. (US) 2020-12-22 US disclosed
US-20190030171-A1 PHOSPONATE LINKERS AND THEIR USE TO FACILITATE CELLULAR RETENTION OF COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2019-01-31 US disclosed
WO-2017132103-A2 PHOSPHONATE LINKERS AND THEIR USE TO FACILITATE CELLULAR RETENTION OF COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2017-08-03 WO 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 (4 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-20230147502-A1 PHOSPHONATE LINKERS AND THEIR USE TO FACILIATE CELLULAR RETENTION OF COMPOUNDS PHOSPHO1, SLC46A1, SLC19A1 ELANE 1604/4885CA2 2641/4885PRTN3 2903/4885
US-20190030171-A1 PHOSPONATE LINKERS AND THEIR USE TO FACILITATE CELLULAR RETENTION OF COMPOUNDS PHOSPHO1, PHPT1, PSPH ELANE 2888/4885CA2 2662/4885PRTN3 3074/4885
US-20210015930-A1 PHOSPHONATE LINKERS AND THEIR USE TO FACILITATE CELLULAR RETENTION OF COMPOUNDS PHOSPHO1, TK1, MSN ELANE 1598/4885CA2 3765/4885PRTN3 2663/4885
US-10869929-B2 Phosphonate linkers and their use to facilitate cellular retention of compounds PHOSPHO1, TK1, MSN ELANE 1598/4885CA2 3765/4885PRTN3 2663/4885

“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.