SCHEMBL368914

SCHEMBL368914

NC(=O)COS(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.49
PRSS1 P07477 3/20 0.49
PRSS2 P07478 3/20 0.49
PRSS3 P35030 3/20 0.49
CA1 P00915 7/20 0.49
CA2 P00918 7/20 0.49
CA9 Q16790 6/20 0.49
CA12 O43570 5/20 0.49
CA14 Q9ULX7 4/20 0.49
CA7 P43166 2/20 0.49
CA3 P07451 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA5A P35218 1/20 0.49
CA13 Q8N1Q1 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
ALDH1A1 P00352 2/20 0.48
HSP90AA1 P07900 1/20 0.48
TSHR P16473 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL4617596 0.84 ALDH1A1 (0.48) F2PRSS1PRSS2PRSS3CA1
SCHEMBL875775 0.83 F2 (0.45) F2PRSS1PRSS2PRSS3CA1
SCHEMBL30865768 0.83 CA1 (0.53) F2PRSS1PRSS2PRSS3CA1
SCHEMBL368915 0.80 CA1 (0.52) F2PRSS1PRSS2PRSS3CA1
SCHEMBL1759088 0.80 TSHR (0.49) F2PRSS1PRSS2PRSS3CA1
SCHEMBL11853542 0.80 CA1 (0.55) F2PRSS1PRSS2PRSS3CA1
SCHEMBL10959726 0.80 TSHR (0.45) F2PRSS1PRSS2PRSS3CA1
SCHEMBL10730288 0.79 ALDH1A1 (0.44) F2PRSS1PRSS2PRSS3CA1
SCHEMBL17763537 0.78 ALDH1A1 (0.49) F2PRSS1PRSS2PRSS3CA1
SCHEMBL1759087 0.78 CA1 (0.48) F2PRSS1PRSS2PRSS3CA1

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
US-8835685-B2 Process for the preparation of contrast agents BRACCO IMAGING S.P.A. (IT) 2014-09-16 US claimed
EP-2593423-B1 PROCESS FOR THE PREPARATION OF CONTRAST AGENTS BRACCO IMAGING SPA (IT) 2014-09-03 EP claimed
US-8835685-B2 Process for the preparation of contrast agents BRACCO IMAGING S.P.A. (IT) 2014-09-16 US disclosed
EP-2593423-B1 PROCESS FOR THE PREPARATION OF CONTRAST AGENTS BRACCO IMAGING SPA (IT) 2014-09-03 EP disclosed
US-20130131382-A1 Process For The Preparation Of Contrast Agents BRACCO IMAGING S.P.A. (IT) 2013-05-23 US disclosed
EP-2593423-A1 PROCESS FOR THE PREPARATION OF CONTRAST AGENTS Bracco Imaging S.p.A (IT) 2013-05-22 EP disclosed
WO-2012007547-A1 PROCESS FOR THE PREPARATION OF CONTRAST AGENTS BRACCO IMAGING S.P.A. (IT) 2012-01-19 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-20130131382-A1 Process For The Preparation Of Contrast Agents SLC1A5, SLC30A5, SLC9B2 F2 2719/4885PRSS1 4010/4885PRSS2 3159/4885

“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.