Sugi Predict

Sugi Predict / Compounds / SCHEMBL25877388

SCHEMBL25877388

SCHEMBL25877388

CC(C)CCCC(=O)N1C[C@H]2CC[C@@H](C1)N2CCC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.38
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ GNAI3 P08754 4/20 0.33
▸ GNAO1 P09471 4/20 0.33
▸ GNAI1 P63096 4/20 0.33
▸ PREP P48147 3/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ CHRNB3 Q05901 1/20 0.33
▸ CHRNA6 Q15825 1/20 0.33
▸ ATM Q13315 1/20 0.32
▸ GBA1 P04062 1/20 0.31
▸ FOS P01100 1/20 0.31
▸ JUN P05412 1/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL22794822 0.88 MEN1 (0.38) NPC1MEN1KMT2APOLBMAPT
SCHEMBL23696466 0.88 NPC1 (0.38) NPC1MEN1KMT2APOLBMAPT
SCHEMBL25914467 0.88 NPC1 (0.38) NPC1MEN1KMT2APOLBMAPT
SCHEMBL25123575 0.88 NPC1 (0.38) NPC1MEN1KMT2APOLBMAPT
SCHEMBL24511299 0.82 FAAH (0.35) NPC1MEN1KMT2APOLBMAPT
SCHEMBL24508295 0.82 NPC1 (0.34) NPC1MEN1KMT2APOLBMAPT
SCHEMBL23945313 0.78 GNAI3 (0.40) MEN1KMT2APOLBMAPTGNAI3
SCHEMBL23806469 0.77 MEN1 (0.47) NPC1MEN1KMT2APOLBMAPT
SCHEMBL24508742 0.77 MEN1 (0.47) NPC1MEN1KMT2APOLBMAPT
SCHEMBL25730515 0.77 MEN1 (0.35) NPC1MEN1KMT2APOLBMAPT

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-11779578-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-10-10 — — US disclosed
US-20230234936-A1 COMPOUND FOR TARGETING AND DEGRADING PROTEIN, AND PREPARATION METHOD THEREFOR AND USE THEREOF LEADINGTAC PHARMACEUTICAL (SHAOXING) CO., LTD. (CN) 2023-07-27 — — US disclosed
US-20230234936-A1 COMPOUND FOR TARGETING AND DEGRADING PROTEIN, AND PREPARATION METHOD THEREFOR AND USE THEREOF LEADINGTAC PHARMACEUTICAL (SHAOXING) CO., LTD. (CN) 2023-07-27 — — US disclosed
US-11707457-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-07-25 — — US disclosed
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 (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-20230234936-A1 COMPOUND FOR TARGETING AND DEGRADING PROTEIN, AND PREPARATION METHOD THEREFOR AND USE THEREOF IRAK4, IRAK2, IRAK1 NPC1 2315/4885MEN1 3175/4885KMT2A 1513/4885
US-11779578-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 NPC1 3159/4885MEN1 4055/4885KMT2A 445/4885
US-11707457-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 NPC1 3159/4885MEN1 4055/4885KMT2A 445/4885

“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.