SCHEMBL21430237

SCHEMBL21430237

CC(C)C[C@@H]1NC(=O)CNC2(CNC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](C)NC1=O)COC2

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 5/20 0.48
▸ HDAC1 Q13547 5/20 0.48
▸ HDAC8 Q9BY41 5/20 0.48
▸ HDAC2 Q92769 4/20 0.46
▸ HDAC10 Q969S8 4/20 0.46
▸ HDAC11 Q96DB2 4/20 0.46
▸ HDAC6 Q9UBN7 3/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC9 Q9UKV0 1/20 0.46
▸ HDAC5 Q9UQL6 1/20 0.46
▸ NCOR2 Q9Y618 1/20 0.46
▸ TACR2 P21452 9/20 0.45
▸ GHSR Q92847 1/20 0.42
▸ ROR1 Q01973 1/20 0.42
▸ IDO1 P14902 1/20 0.41

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
SCHEMBL21428930 0.96 TACR2 (0.48) HDAC3HDAC1HDAC8TACR2GHSR
SCHEMBL21429011 0.96 TACR2 (0.48) HDAC3HDAC1HDAC8TACR2GHSR
SCHEMBL21430232 0.94 HDAC8 (0.46) HDAC3HDAC1HDAC8HDAC2HDAC10
SCHEMBL25901393 0.92 HDAC3 (0.44) HDAC3HDAC1HDAC8HDAC2HDAC10
SCHEMBL22928996 0.89 TACR2 (0.40) HDAC8TACR2GHSRROR1
SCHEMBL21428942 0.83 HDAC8 (0.46) HDAC3HDAC1HDAC8HDAC2HDAC10
SCHEMBL30538860 0.80 TACR2 (0.56) HDAC3HDAC1HDAC8TACR2ROR1
SCHEMBL21429006 0.80 TACR2 (0.56) HDAC3HDAC1HDAC8TACR2ROR1
SCHEMBL21428995 0.79 POLB (0.46) HDAC3HDAC1HDAC8HDAC2HDAC10
SCHEMBL21430235 0.79 HDAC8 (0.46) HDAC3HDAC1HDAC8HDAC2HDAC10

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-11713339-B2 Macrocyclization of peptidomimetics UNIVERSITY OF WARWICK (GB) 2023-08-01 — — US disclosed
US-20210024579-A1 MACROCYCLIZATION OF PEPTIDOMIMETICS UNIVERSITY OF WARWICK (GB) 2021-01-28 — — US disclosed
WO-2019186174-A1 MACROCYCLIZATION OF PEPTIDOMIMETICS UNIVERSITY OF WARWICK (GB) 2019-10-03 — — 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-20210024579-A1 MACROCYCLIZATION OF PEPTIDOMIMETICS NGLY1, MAX, VIP HDAC3 2095/4885HDAC1 2555/4885HDAC8 3477/4885
US-11713339-B2 Macrocyclization of peptidomimetics NGLY1, MAX, PTMA HDAC3 2187/4885HDAC1 1851/4885HDAC8 2773/4885

“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.

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