SCHEMBL22214985

SCHEMBL22214985

CC(C)COC(=O)NCc1cccc(C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 7/20 0.54
NR1H4 Q96RI1 3/20 0.52
HDAC1 Q13547 1/20 0.49
FOLH1 Q04609 2/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
MMP13 P45452 1/20 0.45
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45

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
SCHEMBL6237639 0.84 ALDH1A1 (0.57) HDAC1
SCHEMBL9339143 0.82 PLAU (0.54) MEP1BNR1H4HDAC1MRGPRX4
SCHEMBL17346631 0.81 CYP2D6 (0.48) HDAC1
SCHEMBL19910574 0.79 MEP1B (0.64) MEP1BNR1H4FOLH1FNTAFNTB
SCHEMBL8176056 0.78 NR1H4 (0.52) MEP1BNR1H4FOLH1MRGPRX4MMP13
SCHEMBL184425 0.78 NR1H4 (0.61) MEP1BNR1H4HDAC1FOLH1MMP13
SCHEMBL17346618 0.78 CYP2D6 (0.45) HDAC1
SCHEMBL3530258 0.76 KMT2A (0.64) MEP1BNR1H4HDAC1FOLH1MRGPRX4
SCHEMBL15600276 0.76 NR1H4 (0.61) MEP1BNR1H4FOLH1MRGPRX4
SCHEMBL17863560 0.76 MAPT (0.50)

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-20220105194-A1 CONJUGATE COMPRISING LIGAND, SPACER, PEPTIDE LINKER, AND BIOMOLECULE ASTELLAS PHARMA INC. (JP) 2022-04-07 US disclosed
US-20210340276-A1 COMPLEX HAVING ANTI-HUMAN MUC1 ANTIBODY FAB FRAGMENT, PEPTIDE LINKER AND/OR LIGAND ASTELLAS PHARMA INC. (JP) 2021-11-04 US disclosed
WO-2020145227-A1 COMPLEX COMPRISING LIGAND, SPACER, PEPTIDE LINKER, AND BIOMOLECULE アステラス製薬株式会社 2020-07-16 WO disclosed
WO-2020145228-A1 COMPLEX COMPRISING LIGAND AND CEACAM5 ANTIBODY FAB FRAGMENT アステラス製薬株式会社 2020-07-16 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 (2 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-20220105194-A1 CONJUGATE COMPRISING LIGAND, SPACER, PEPTIDE LINKER, AND BIOMOLECULE MUC1, CA14, CA13 MEP1B 384/4885NR1H4 1592/4885HDAC1 1924/4885
US-20210340276-A1 COMPLEX HAVING ANTI-HUMAN MUC1 ANTIBODY FAB FRAGMENT, PEPTIDE LINKER AND/OR LIGAND MUC1, SIGLEC7, CA14 MEP1B 704/4885NR1H4 1741/4885HDAC1 1502/4885

“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.