SCHEMBL21296800

SCHEMBL21296800

CC(C)(C)OC(=O)n1nccc1-c1cccc(NC(=O)Nc2cccc(O)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.43
BAZ1A Q9NRL2 1/20 0.41
CCKBR P32239 1/20 0.40
SCN9A Q15858 2/20 0.40
KDR P35968 1/20 0.40
MAPK14 Q16539 1/20 0.40
ACHE P22303 1/20 0.40
BRAF P15056 4/20 0.40
CYP17A1 P05093 1/20 0.39
MGLL Q99685 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
SCN4A P35499 1/20 0.39
SCN3A Q9NY46 1/20 0.39
FYN P06241 2/20 0.39
SYK P43405 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
SCHEMBL23610577 0.89 HSD17B1 (0.47) SCN9AKDRBRAFSCN4ASCN3A
SCHEMBL23610573 0.85 SCN3A (0.44) SCN9ABRAFCYP17A1TRPV1SCN4A
SCHEMBL21296839 0.84 PDK1 (0.48)
SCHEMBL21296776 0.78 KMT2A (0.53) CYP17A1ALDH1A1SCN4ASCN3A
SCHEMBL23610572 0.77 KMT2A (0.54) BRAFALDH1A1SCN4ASCN3A
SCHEMBL21296771 0.77 MAP2K4 (0.39) SCN9ASCN4ASCN3AFYN
SCHEMBL21296774 0.76 MAPT (0.46) SCN9ACYP17A1ALDH1A1SCN4ASCN3A
SCHEMBL21296781 0.75 MAPT (0.47) CNR1MAPK14BRAFALDH1A1SCN4A
SCHEMBL21296779 0.75 JAK2 (0.43) CNR1ALDH1A1
SCHEMBL21296842 0.73 BRAF (0.49) BRAFTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11530181-B2 IL-6 inhibitors and methods of treatment UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-12-20 US disclosed
US-11530181-B2 IL-6 inhibitors and methods of treatment UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-12-20 US disclosed
US-20210206718-A1 IL-6 INHIBITORS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2021-07-08 US disclosed
US-20210206718-A1 IL-6 INHIBITORS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2021-07-08 US disclosed
WO-2019165158-A1 IL-6 INHIBITORS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-08-29 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-11530181-B2 IL-6 inhibitors and methods of treatment IL6, IL6ST, IL2 CNR1 1096/4885BAZ1A 2885/4885CCKBR 1024/4885
US-20210206718-A1 IL-6 INHIBITORS AND METHODS OF TREATMENT IL6, IL6ST, IL2 CNR1 1096/4885BAZ1A 2885/4885CCKBR 1024/4885

“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.