SCHEMBL29437988

SCHEMBL29437988

CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccc(C#N)c(C(C)C)c2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.41
CTSS P25774 4/20 0.40
CTSK P43235 3/20 0.40
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC8 Q9BY41 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
AAK1 Q2M2I8 2/20 0.38
CTSB P07858 1/20 0.37
PTPN1 P18031 1/20 0.36
AR P10275 1/20 0.36
TRPA1 O75762 1/20 0.36
CA12 O43570 1/20 0.36

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
SCHEMBL12594088 1.00 RET (0.41) RETCTSSCTSKHDAC4HDAC1
SCHEMBL13828665 0.90 CTSS (0.41) RETCTSSCTSKHDAC4HDAC1
SCHEMBL30240910 0.90 CTSS (0.41) RETCTSSCTSKHDAC4HDAC1
SCHEMBL20567566 0.90 CTSS (0.41) RETCTSSCTSKHDAC4HDAC1
SCHEMBL17188985 0.90 JAK2 (0.40) AAK1ARTRPA1ALDH1A1MAPT
SCHEMBL17180624 0.89 AR (0.38) ARALDH1A1MAPTGFER
SCHEMBL13720910 0.89 RET (0.40) RETCTSSCTSKHDAC4HDAC1
SCHEMBL17571114 0.89 RET (0.43) RETCTSSCTSKHDAC4HDAC1
SCHEMBL13832528 0.89 RET (0.43) RETCTSSCTSKHDAC4HDAC1
SCHEMBL13828839 0.87 CTSS (0.39) RETCTSSCTSKHDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11583527-B2 Hydantoin derivatives useful as Kv3 inhibitors AUTIFONY THERAPEUTICS LIMITED (GB) 2023-02-21 US disclosed
US-20220054490-A1 HYDANTOIN DERIVATIVES USEFUL AS KV3 INHIBITORS AUTIFONY THERAPEUTICS LIMITED (GB) 2022-02-24 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 (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-11583527-B2 Hydantoin derivatives useful as Kv3 inhibitors KCNN3, KCND3, KCNA3 RET 4313/4885CTSS 3155/4885CTSK 2421/4885
US-20220054490-A1 HYDANTOIN DERIVATIVES USEFUL AS KV3 INHIBITORS KCNN3, KCND3, KCNA3 RET 4313/4885CTSS 3155/4885CTSK 2421/4885

“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.