SCHEMBL25878447

SCHEMBL25878447

CCCCOC[C@H]1CC[C@H](c2nc3cc(C(=O)OC)c(NC(=O)c4ccccn4)cc3s2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
OPRK1 P41145 3/20 0.42
KMT2A Q03164 2/20 0.42
PKM P14618 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.37
GRM4 Q14833 4/20 0.36
SCD O00767 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.35
AGTR1 P30556 1/20 0.35

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
SCHEMBL25726483 0.89 MAPT (0.45) MAPTNPC1RAB9AOPRK1KMT2A
SCHEMBL23568017 0.89 SMN1; SMN2 (0.41) MAPTNPC1RAB9AOPRK1KMT2A
SCHEMBL30006372 0.89 SMN1; SMN2 (0.41) MAPTNPC1RAB9AOPRK1KMT2A
SCHEMBL23536431 0.89 SMN1; SMN2 (0.41) MAPTNPC1RAB9AOPRK1KMT2A
SCHEMBL23536507 0.88 MAPT (0.45) MAPTNPC1RAB9AOPRK1KMT2A
SCHEMBL23568015 0.88 MAPT (0.45) MAPTNPC1RAB9AOPRK1KMT2A
SCHEMBL30007278 0.88 MAPT (0.45) MAPTNPC1RAB9AOPRK1KMT2A
SCHEMBL25878276 0.87 IRAK4 (0.43)
SCHEMBL25878285 0.87 IRAK4 (0.43)
SCHEMBL25726437 0.85 PDE4B (0.32) MAPTSMN1; SMN2ALDH1A1L3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11707457-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-07-25 US 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 (1 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-11707457-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 MAPT 2459/4885NPC1 3159/4885RAB9A 4270/4885

“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.