SCHEMBL21430262

SCHEMBL21430262

CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC2(CNC(=O)[C@H](C)NC1=O)CN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 5/20 0.40
▸ HDAC1 Q13547 5/20 0.40
▸ HDAC2 Q92769 5/20 0.40
▸ HDAC10 Q969S8 4/20 0.40
▸ HDAC11 Q96DB2 4/20 0.40
▸ HDAC6 Q9UBN7 4/20 0.40
▸ KLK7 P49862 5/20 0.38
▸ SOAT2 O75908 1/20 0.37
▸ SOAT1 P35610 1/20 0.37
▸ NCOR1 O75376 2/20 0.36
▸ HDAC4 P56524 2/20 0.36
▸ NCOR2 Q9Y618 1/20 0.36
▸ ITGB1 P05556 2/20 0.36
▸ ITGA4 P13612 2/20 0.36
▸ ITGB2 P05107 1/20 0.36
▸ ITGA5 P08648 1/20 0.36
▸ ITGAM P11215 1/20 0.36
▸ MLNR O43193 2/20 0.35
▸ GHSR Q92847 2/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL21428933 0.81 KLK7 (0.41) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL22928959 0.81 KLK7 (0.41) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL38665961 0.77 DDB1 (0.39) MAPT
SCHEMBL22928930 0.73 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL21430287 0.73 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL21430233 0.73 TERF2 (0.41) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL22929005 0.73 TERF2 (0.41) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL21430290 0.71 HDAC3 (0.42) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL14952819 0.70 MLNR (0.48) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL25901374 0.70 DDB1 (0.34) —

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 4 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-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 2555/4885HDAC2 4160/4885
US-11713339-B2 Macrocyclization of peptidomimetics NGLY1, MAX, PTMA HDAC3 2187/4885HDAC1 1851/4885HDAC2 4003/4885

“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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