SCHEMBL19032878

SCHEMBL19032878

CCCCCN1C(=O)C(=O)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 3/20 0.62
▸ CASP7 P55210 3/20 0.62
▸ CASP1 P29466 2/20 0.62
▸ CASP4 P49662 2/20 0.62
▸ CASP9 P55211 2/20 0.62
▸ CASP6 P55212 2/20 0.62
▸ CASP8 Q14790 1/20 0.60
▸ ALDH1A1 P00352 2/20 0.58
▸ ALDH2 P05091 1/20 0.58
▸ ALDH3A1 P30838 1/20 0.58
▸ CES1 P23141 2/20 0.57
▸ CDC25A P30304 1/20 0.57
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ KDM1A O60341 1/20 0.47
▸ HPGD P15428 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ CHRM2 P08172 1/20 0.46

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
SCHEMBL11570788 0.96 CASP3 (0.63) CASP3CASP7CASP1CASP4CASP9
SCHEMBL3651922 0.91 CASP3 (0.67) CASP3CASP7CASP1CASP4CASP9
SCHEMBL21774731 0.85 CASP1 (0.67) CASP3CASP7CASP1CASP4CASP9
SCHEMBL13202235 0.82 ACHE (0.58) CA12CA1CA2CA9
SCHEMBL21774745 0.82 CASP1 (0.62) CASP3CASP7CASP1CASP4CASP9
SCHEMBL18954535 0.81 CASP1 (0.52) CASP3CASP7CASP1CASP4CASP9
SCHEMBL13202079 0.81 ACHE (0.57) CA12CA1CA2CA9
SCHEMBL8095237 0.81 ACHE (0.57) CA12CA1CA2CA9
SCHEMBL1573660 0.81 ACHE (0.57) CA12CA1CA2CA9
SCHEMBL4625604 0.79 CASP3 (0.67) CASP3CASP7CASP1CASP4CASP9

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-4071140-B1 CFTR REGULATORS AND METHODS OF USE THEREOF UNIV CALIFORNIA (US) 2024-07-03 — — EP disclosed
EP-4071140-A1 CFTR REGULATORS AND METHODS OF USE THEREOF The Regents of The University of California (US) 2022-10-12 — — EP disclosed
US-20210347742-A1 CFTR REGULATORS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-11-11 — — US disclosed
US-11084795-B2 CFTR regulators and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-08-10 — — US disclosed
US-20190031622-A1 CFTR REGULATORS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-01-31 — — US disclosed
EP-3394046-A1 CFTR REGULATORS AND METHODS OF USE THEREOF The Regents of the University of California, A California Corporation (US) 2018-10-31 — — EP disclosed
WO-2017112950-A1 CFTR REGULATORS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-06-29 — — 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 (3 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-20190031622-A1 CFTR REGULATORS AND METHODS OF USE THEREOF CFTR, SLC26A4, CLCN2 CASP3 4014/4885CASP7 2310/4885CASP1 2466/4885
US-20210347742-A1 CFTR REGULATORS AND METHODS OF USE THEREOF CFTR, SLC26A4, CLCN2 CASP3 4014/4885CASP7 2310/4885CASP1 2466/4885
US-11084795-B2 CFTR regulators and methods of use thereof CFTR, SLC26A4, CLCN2 CASP3 4014/4885CASP7 2310/4885CASP1 2466/4885

“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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