SCHEMBL23616006

SCHEMBL23616006

CC(C)(C)OC(=O)NCCN(Cc1ccc(F)cc1)C(=O)c1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
ROCK1 Q13464 1/20 0.41
KCNQ4 P56696 1/20 0.40
KCNQ5 Q9NR82 1/20 0.40
MCHR1 Q99705 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
PARP1 P09874 1/20 0.39
CTSS P25774 2/20 0.39
CTSK P43235 2/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC2 Q92769 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
LPAR1 Q92633 2/20 0.38
LPAR5 Q9H1C0 2/20 0.38
FPR3 P25089 1/20 0.38

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
SCHEMBL23607906 0.83 HDAC1 (0.44) NR1H4ROCK1MCHR1HDAC1HDAC6
SCHEMBL23607855 0.79 ROCK1 (0.44) MAPTTP53ROCK1KCNQ4KCNQ5
SCHEMBL24329996 0.79 TMEM97 (0.48) CTSSCTSKFPR3FPR2CKS1B
SCHEMBL17532689 0.79 HPGD (0.46) MAPTPARP1HDAC1HDAC3HDAC2
SCHEMBL13237 0.77 CA14 (0.47) GAACTSSCTSKHDAC1HDAC3
SCHEMBL14078350 0.77 TRPM8 (0.49) LPAR1LPAR5
SCHEMBL1065312 0.76 CA2 (0.55) MAPTCTSSCTSKFPR3FPR2
SCHEMBL14326995 0.76 CA2 (0.55) POLBGAACTSSCTSKFPR2
SCHEMBL14078301 0.76 LPAR1 (0.43) PARP1LPAR1LPAR5
SCHEMBL14078308 0.76 TRPM8 (0.50) POLBLPAR1LPAR5

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
EP-3845276-B1 BETA-AMINO ACID DERIVATIVE, KINASE INHIBITOR AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND USE OF THE SAME IND TECH RES INST (TW) 2025-01-29 EP disclosed
US-11608319-B2 Beta-amino acid derivative, kinase inhibitor and pharmaceutical composition containing the same, and method for performing an in vivo related application that benefits from the inhibition of a kinase INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2023-03-21 US disclosed
US-20220363645-A1 BETA-AMINO ACID DERIVATIVE, KINASE INHIBITOR AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND METHOD FOR PERFORMING AN IN VIVO RELATED APPLICATION THAT BENEFITS FROM THE INHIBITION OF A KINASE INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2022-11-17 US disclosed
EP-3845276-A1 SS-AMINO ACID DERIVATIVE, KINASE INHIBITOR AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND USE OF THE SAME Industrial Technology Research Institute (TW) 2021-07-07 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 (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-11608319-B2 Beta-amino acid derivative, kinase inhibitor and pharmaceutical composition containing the same, and method for performing an in vivo related application that benefits from the inhibition of a kinase CSNK1A1, CSNK1D, CSNK1G3 MAPT 3096/4885TP53 1577/4885NR1H4 1345/4885
US-20220363645-A1 BETA-AMINO ACID DERIVATIVE, KINASE INHIBITOR AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND METHOD FOR PERFORMING AN IN VIVO RELATED APPLICATION THAT BENEFITS FROM THE INHIBITION OF A KINASE CSNK1A1, CSNK1D, CSNK1G3 MAPT 3096/4885TP53 1577/4885NR1H4 1345/4885

“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.