SCHEMBL21430233

SCHEMBL21430233

CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C2(CNC(=O)[C@H](C)NC1=O)COC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TERF2 Q15554 2/20 0.41
▸ KLK7 P49862 2/20 0.39
▸ HDAC3 O15379 4/20 0.37
▸ HDAC1 Q13547 4/20 0.37
▸ HDAC2 Q92769 4/20 0.37
▸ HDAC10 Q969S8 4/20 0.37
▸ HDAC11 Q96DB2 4/20 0.37
▸ HDAC6 Q9UBN7 4/20 0.37
▸ GHSR Q92847 4/20 0.37
▸ MLNR O43193 2/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ FLT1 P17948 1/20 0.36
▸ ABCG2 Q9UNQ0 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
SCHEMBL22929005 1.00 TERF2 (0.41) TERF2KLK7HDAC3HDAC1HDAC2
SCHEMBL22928959 0.81 KLK7 (0.41) KLK7HDAC3HDAC1HDAC2HDAC10
SCHEMBL21428933 0.81 KLK7 (0.41) KLK7HDAC3HDAC1HDAC2HDAC10
SCHEMBL21430295 0.79 TERF2 (0.47) TERF2KLK7HDAC3HDAC1HDAC2
SCHEMBL25901467 0.78 TERF2 (0.48) TERF2KLK7HDAC3HDAC1HDAC2
SCHEMBL21430262 0.73 HDAC3 (0.40) KLK7HDAC3HDAC1HDAC2HDAC10
SCHEMBL22928930 0.72 HDAC3 (0.48) KLK7HDAC3HDAC1HDAC2HDAC10
SCHEMBL21430287 0.72 HDAC3 (0.48) KLK7HDAC3HDAC1HDAC2HDAC10
SCHEMBL14952819 0.71 MLNR (0.48) KLK7HDAC3HDAC1HDAC2HDAC10
SCHEMBL30576705 0.70 HDAC3 (0.49) HDAC3HDAC1HDAC2HDAC10HDAC11

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 TERF2 771/4885KLK7 1098/4885HDAC3 2095/4885
US-11713339-B2 Macrocyclization of peptidomimetics NGLY1, MAX, PTMA TERF2 1137/4885KLK7 1802/4885HDAC3 2187/4885

“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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