SCHEMBL21837404

SCHEMBL21837404

COC(=O)[C@H](COCC(F)(F)C(F)F)NS(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
THRB P10828 1/20 0.42
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
SLC10A6 Q3KNW5 1/20 0.40
ALDH1A1 P00352 3/20 0.40
PKM P14618 1/20 0.40
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
F2 P00734 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL21837407 1.00 CA1 (0.44) CA1CA2MMP1MMP2MMP9
SCHEMBL21838137 0.90 CA1 (0.46) CA1CA2MMP1MMP2MMP9
SCHEMBL21838135 0.90 CA1 (0.46) CA1CA2MMP1MMP2MMP9
SCHEMBL21837924 0.82 HSD11B1 (0.42) THRBLMNASLC10A6ALDH1A1PKM
SCHEMBL21837921 0.82 HSD11B1 (0.42) THRBLMNASLC10A6ALDH1A1PKM
SCHEMBL29492897 0.80 CA1 (0.56) CA1CA2MMP1MMP2MMP9
SCHEMBL21952415 0.80 CA1 (0.56) CA1CA2MMP1MMP2MMP9
SCHEMBL32668283 0.78 CA1 (0.53) CA1CA2MMP1MMP2MMP9
SCHEMBL31120596 0.77 POLB (0.67) CA1CA2MMP1MMP2MMP9
SCHEMBL5693261 0.76 CA1 (0.54) CA1CA2MMP1MMP2MMP9

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 4 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
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 CA1 1979/4885CA2 1042/4885MMP1 2771/4885

“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.