SCHEMBL25937472

SCHEMBL25937472

CCCOCCOCCOCCOCCN(C)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.37
NR1I2 O75469 1/20 0.35
CA14 Q9ULX7 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA7 P43166 1/20 0.35
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 0.32
GBA1 P04062 1/20 0.31
GPR88 Q9GZN0 1/20 0.31
HTR2C P28335 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL25937524 1.00 PDK2 (0.37) PDK2NR1I2CA14CA12CA1
SCHEMBL25937432 1.00 PDK2 (0.37) PDK2NR1I2CA14CA12CA1
SCHEMBL25937497 1.00 PDK2 (0.37) PDK2NR1I2CA14CA12CA1
SCHEMBL25937411 0.98 PDK2 (0.38) PDK2NR1I2CA14CA12CA1
SCHEMBL22276649 0.93 PDK2 (0.40) PDK2CA14CA12CA1CA7
SCHEMBL22276510 0.93 PDK2 (0.40) PDK2CA14CA12CA1CA7
SCHEMBL30011083 0.90 ALDH1A1 (0.37) PDK2CA14CA12CA1CA7
SCHEMBL30010359 0.90 ALDH1A1 (0.37) PDK2CA14CA12CA1CA7
SCHEMBL30011885 0.90 ALDH1A1 (0.37) PDK2CA14CA12CA1CA7
SCHEMBL850006 0.86 MEN1 (0.38) PDK2CA14BLMPMP22HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230398223-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-12-14 US disclosed
US-11723980-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-08-15 US disclosed
US-20230242506-A1 HETEROBIFUNCTIONAL MOLECULES AS TEAD INHIBITORS GENENTECHT, INC. (US) 2023-08-03 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 (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-11723980-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 PDK2 1509/4885NR1I2 2253/4885CA14 4601/4885
US-20230242506-A1 HETEROBIFUNCTIONAL MOLECULES AS TEAD INHIBITORS TEAD1, TEAD2, TEAD4 PDK2 1212/4885NR1I2 1694/4885CA14 4314/4885
US-20230398223-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 PDK2 1509/4885NR1I2 2253/4885CA14 4601/4885

“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.