SCHEMBL21837833

SCHEMBL21837833

C=CCCC(=O)N(C)[C@@H](COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 6/20 0.39
▸ TSHR P16473 1/20 0.37
▸ SLC6A1 P30531 2/20 0.37
▸ SLC6A11 P48066 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ PKM P14618 1/20 0.34
▸ MAPK1 P28482 1/20 0.34

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
SCHEMBL21837835 1.00 KIF11 (0.39) KIF11TSHRSLC6A1SLC6A11HDAC6
SCHEMBL21895930 0.89 KIF11 (0.40) KIF11TSHRSLC6A1SLC6A11TDP1
SCHEMBL21837995 0.87 TSHR (0.35) KIF11TSHRSLC6A1SLC6A11TDP1
SCHEMBL21837994 0.87 TSHR (0.35) KIF11TSHRSLC6A1SLC6A11TDP1
SCHEMBL21895929 0.86 KIF11 (0.33) KIF11SLC6A1SLC6A11
SCHEMBL21876310 0.79 MMP2 (0.37) TSHRTDP1MAPK1
SCHEMBL21876308 0.76 POLB (0.42) —
SCHEMBL16288558 0.75 CNR1 (0.30) MAPK1
SCHEMBL30368717 0.75 KIF11 (0.39) KIF11SLC6A1SLC6A11HDAC6
SCHEMBL21837409 0.74 FAAH (0.41) —

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
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

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 KIF11 2789/4885TSHR 1062/4885SLC6A1 1384/4885

“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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