SCHEMBL23286133

SCHEMBL23286133

NC(=O)NCCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
KISS1R Q969F8 5/20 0.45
SIRT5 Q9NXA8 2/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
SIRT2 Q8IXJ6 5/20 0.42
SIRT1 Q96EB6 4/20 0.42
SIRT3 Q9NTG7 3/20 0.42
BACE1 P56817 2/20 0.42

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
SCHEMBL16450329 1.00 SMN1; SMN2 (0.46) SMN1; SMN2KISS1RSIRT5HDAC3HDAC4
SCHEMBL23680475 0.89 GGT1 (0.47) SMN1; SMN2SIRT5
SCHEMBL15702056 0.86 SSTR3 (0.50) SIRT2SIRT1SIRT3
SCHEMBL19719375 0.86 LTA4H (0.52) BACE1
SCHEMBL14140557 0.86 LTA4H (0.52) BACE1
SCHEMBL19456959 0.86 MMP1 (0.53) SIRT5HDAC4HDAC1HDAC8SIRT2
SCHEMBL19456962 0.86 MMP1 (0.53) SIRT5HDAC4HDAC1HDAC8SIRT2
SCHEMBL26025959 0.86 OPRK1 (0.49) SIRT5SIRT2SIRT1SIRT3BACE1
SCHEMBL25167053 0.85 SPHK1 (0.47) SIRT2SIRT1SIRT3
SCHEMBL13166473 0.85 SPHK1 (0.50) SIRT2SIRT1SIRT3

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-20230128167-A1 OLIGOPEPTIDE LINKER INTERMEDIATE AND PREPARATION METHOD THEREOF MABPLEX INTERNATIONAL, LTD. (CN) 2023-04-27 US disclosed
WO-2021077317-A1 OLIGOPEPTIDE LINKER INTERMEDIATE AND PREPARATION METHOD THEREFOR 烟台迈百瑞国际生物医药股份有限公司 2021-04-29 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 (1 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-20230128167-A1 OLIGOPEPTIDE LINKER INTERMEDIATE AND PREPARATION METHOD THEREOF VIP, DNPEP, PREP SMN1; SMN2 1997/4885KISS1R 242/4885SIRT5 2498/4885

“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.