SCHEMBL21954259

SCHEMBL21954259

CC(C)(C)OC(=O)NCc1nc2cc(O)ccc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.49
TRPV1 Q8NER1 7/20 0.47
NQO2 P16083 1/20 0.44
KDM4A O75164 1/20 0.42
PDPK1 O15530 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GLS O94925 1/20 0.39
CA2 P00918 1/20 0.39
AKR1B1 P15121 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 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
SCHEMBL30466627 1.00 DYRK1A (0.49) DYRK1ATRPV1NQO2KDM4APDPK1
SCHEMBL21819943 0.90 MAOB (0.47) DYRK1ANQO2
SCHEMBL5123403 0.87 AKR1B1 (0.49) DYRK1ATRPV1KDM4APDPK1AKR1B1
SCHEMBL20509355 0.87 DYRK1A (0.48) DYRK1ATRPV1KDM4APDPK1RAB9A
SCHEMBL30466621 0.87 DYRK1A (0.48) DYRK1ATRPV1KDM4APDPK1RAB9A
SCHEMBL24962449 0.87 HDAC6 (0.52) DYRK1ATRPV1MAPTAKR1B1
SCHEMBL24962455 0.85 AKR1B1 (0.55) DYRK1ATRPV1AKR1B1
SCHEMBL24962469 0.85 DYRK1A (0.47) DYRK1ATRPV1KDM4APDPK1GLS
SCHEMBL24963248 0.84 PPARA (0.49) DYRK1ATRPV1KDM4APDPK1GLS
SCHEMBL30493007 0.84 DYRK1A (0.48) DYRK1ATRPV1KDM4APDPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240016941-A1 COMBINATION THERAPY ANTABIO SAS (FR) 2024-01-18 US disclosed
EP-3601224-B1 CHEMICAL COMPOUNDS AS ANTIBIOTICS ANTABIO SAS (FR) 2023-07-05 EP disclosed
CN-110914238-B Compounds as antibiotics 安塔比奥公司 2023-06-20 CN disclosed
US-11000511-B2 Chemical compounds as antibiotics ANTABIO SAS (FR) 2021-05-11 US disclosed
US-20200155509-A1 CHEMICAL COMPOUNDS AS ANTIBIOTICS ANTABIO SAS (FR) 2020-05-21 US disclosed
CN-110914238-A Compounds as antibiotics 安塔比奥公司 2020-03-24 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 (3 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-20200155509-A1 CHEMICAL COMPOUNDS AS ANTIBIOTICS MRPL21, CFTR, H1-0 DYRK1A 2270/4885TRPV1 2535/4885NQO2 31/4885
US-20240016941-A1 COMBINATION THERAPY CFTR, ABCB11, SLC26A4 DYRK1A 2557/4885TRPV1 552/4885NQO2 411/4885
US-11000511-B2 Chemical compounds as antibiotics MRPL21, CFTR, H1-0 DYRK1A 2270/4885TRPV1 2535/4885NQO2 31/4885

“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.