SCHEMBL21837591

SCHEMBL21837591

CN([C@@H](COCC(F)(F)C(F)F)C(=O)O)S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD11B1 P28845 1/20 0.43
PTPN1 P18031 2/20 0.42
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL21837408 1.00 MEN1 (0.46) MEN1KMT2AHSD11B1PTPN1NPSR1
SCHEMBL21837924 0.90 HSD11B1 (0.42) MEN1KMT2AHSD11B1PTPN1NPSR1
SCHEMBL21837921 0.90 HSD11B1 (0.42) MEN1KMT2AHSD11B1PTPN1NPSR1
SCHEMBL21837926 0.84 KMT2A (0.46) MEN1KMT2AHSD11B1PTPN1NPSR1
SCHEMBL29182363 0.80 MEN1 (0.46) MEN1KMT2AHSD11B1PTPN1NPSR1
SCHEMBL21838137 0.80 CA1 (0.46) MEN1KMT2A
SCHEMBL21838135 0.80 CA1 (0.46) MEN1KMT2A
SCHEMBL32668282 0.77 MEN1 (0.54) MEN1KMT2AHSD11B1NPSR1
SCHEMBL21837404 0.76 CA1 (0.44)
SCHEMBL21837407 0.76 CA1 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200131669-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2020-04-30 US disclosed
EP-3636807-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME Chugai Seiyaku Kabushiki Kaisha (JP) 2020-04-15 EP disclosed
CN-110869544-A Cyclic peptide compound having high membrane permeability and library containing same 中外制药株式会社 2020-03-06 CN 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-20200131669-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME VIP, SLC7A1, TRPV1 MEN1 1616/4885KMT2A 4201/4885HSD11B1 2276/4885

“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.