SCHEMBL18285205

SCHEMBL18285205

CCOC(=O)c1cccc(C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
MAPT P10636 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPK1 P28482 1/20 0.54
POLB P06746 4/20 0.51
ALDH1A1 P00352 6/20 0.49
HSD17B10 Q99714 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
GAA P10253 1/20 0.47
CDC25B P30305 1/20 0.46
LMNA P02545 2/20 0.45
HPGD P15428 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
GALR2 O43603 1/20 0.45

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
SCHEMBL6656676 0.88 MEN1 (0.68) TSHRMAPTMEN1KMT2AMAPK1
SCHEMBL3789796 0.86 ALDH1A1 (0.64) TSHRMAPTMEN1KMT2AMAPK1
SCHEMBL17707775 0.85 TSHR (0.53) TSHRMAPTMEN1KMT2AMAPK1
SCHEMBL17707777 0.85 TSHR (0.53) TSHRMAPTMEN1KMT2AMAPK1
SCHEMBL17707781 0.85 TSHR (0.53) TSHRMAPTMEN1KMT2AMAPK1
SCHEMBL3785486 0.85 TSHR (0.53) TSHRMAPTMEN1KMT2AMAPK1
SCHEMBL23294948 0.84 TSHR (0.51) TSHRMAPTMEN1KMT2AMAPK1
SCHEMBL29588719 0.84 TSHR (0.51) TSHRMAPTMEN1KMT2AMAPK1
SCHEMBL29220976 0.82 MAPT (0.50) TSHRMAPTMEN1KMT2AMAPK1
SCHEMBL30954344 0.82 MAPT (0.50) TSHRMAPTMEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3300499-B1 PROCESS FOR THE PREPARATION OF INTERMEDIATES USEFUL IN THE PREPARATION OF NON-IONIC CONTRAST AGENTS HOVIONE SCIENTIA LTD (IE) 2023-10-04 EP disclosed
US-11059021-B2 Process for the preparation of intermediates useful in the preparation of non-ionic contrast agents HOVIONE SCIENTIA LIMITED (IE) 2021-07-13 US disclosed
US-20180169607-A1 Process for the Preparation of Intermediates Useful in the Preparation of Non-ionic Contrast Agents HOVIONE SCIENTIA LIMITED (IE) 2018-06-21 US disclosed
EP-3300499-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATES USEFUL IN THE PREPARATION OF NON-IONIC CONTRAST AGENTS Hovione Scientia Limited (IE) 2018-04-04 EP disclosed
WO-2016193740-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATES USEFUL IN THE PREPARATION OF NON-IONIC CONTRAST AGENTS HOVIONE SCIENTIA LIMITED (IE) 2016-12-08 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 (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-11059021-B2 Process for the preparation of intermediates useful in the preparation of non-ionic contrast agents PPIP5K2, IPO4, ITPA TSHR 2482/4885MAPT 4445/4885MEN1 149/4885

“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.