SCHEMBL21296839

SCHEMBL21296839

CC(C)(C)OC(=O)n1nccc1-c1cccc(NC(=O)Nc2cccc(OCc3ccccc3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.48
PDK2 Q15119 1/20 0.48
PDK3 Q15120 1/20 0.48
PDK4 Q16654 1/20 0.48
F10 P00742 3/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
NR1H4 Q96RI1 2/20 0.43
LMNA P02545 1/20 0.43
PPIA P62937 6/20 0.42
LTA4H P09960 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
PTGES O14684 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42

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
SCHEMBL21296800 0.84 CNR1 (0.43)
SCHEMBL23610573 0.76 SCN3A (0.44) MEN1KMT2ANPC1RAB9ANR1H4
SCHEMBL23610577 0.76 HSD17B1 (0.47) MEN1KMT2APOLB
SCHEMBL29910262 0.75 PDK1 (0.65) PDK1PDK2PDK3PDK4MEN1
SCHEMBL22920172 0.75 PDK1 (0.65) PDK1PDK2PDK3PDK4MEN1
SCHEMBL23610572 0.75 KMT2A (0.54) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL28390021 0.74 MEN1 (0.71) PDK1PDK2PDK3PDK4MEN1
SCHEMBL21296776 0.73 KMT2A (0.53) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL21296842 0.72 BRAF (0.49) NPC1RAB9ALMNA
SCHEMBL21296840 0.72 ACP1 (0.42) JAK2

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 PDK1 2919/4885PDK2 3294/4885PDK3 3876/4885
US-20210206718-A1 IL-6 INHIBITORS AND METHODS OF TREATMENT IL6, IL6ST, IL2 PDK1 2919/4885PDK2 3294/4885PDK3 3876/4885

“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.