SCHEMBL22190034

SCHEMBL22190034

CC(Nc1csc(Cc2ccccc2N)n1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 9/20 0.41
CDK5R1 Q15078 9/20 0.41
CCNA2 P20248 5/20 0.39
CDK2 P24941 5/20 0.39
CCNA1 P78396 5/20 0.39
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC8 Q9BY41 1/20 0.36
LMNA P02545 1/20 0.35
SHMT2 P34897 2/20 0.34
KLKB1 P03952 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL22189977 0.76 SLC7A5 (0.41) HDAC1HDAC6HDAC8LMNA
SCHEMBL8955938 0.73 HSD17B10 (0.41) LMNA
SCHEMBL22190003 0.67 PDE10A (0.50) CDK5CDK5R1L3MBTL1
SCHEMBL10662585 0.66 LOXL2 (0.55) LMNA
SCHEMBL9706349 0.65 HDAC1 (0.49) HDAC1HDAC6HDAC8LMNA
SCHEMBL1983877 0.65 HDAC1 (0.49) HDAC1HDAC6HDAC8LMNA
SCHEMBL22190025 0.65 CDK5 (0.54) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL22190056 0.63 HDAC6 (0.53) HDAC6
SCHEMBL28797485 0.62 APAF1 (0.51) L3MBTL1
SCHEMBL8120297 0.62 NOS3 (0.43) LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12077611-B2 Cyclic peptides multimers targeting α4β7 integrin ZEALAND PHARMA A/S (DK) 2024-09-03 US disclosed
US-20230406884-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ZEALAND PHARMA A/S (DK) 2023-12-21 US disclosed
US-11713338-B2 Cyclic peptides multimers targeting α-4-β-7 integrin ZEALAND PHARMA A/S (DK) 2023-08-01 US disclosed
US-11111273-B2 Cyclic peptides multimers targeting alpha-4-beta-7 integrin ZEALAND PHARMA A/S (DK) 2021-09-07 US disclosed
US-20200216501-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ZEALAND PHARMA A/S (DK) 2020-07-09 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 (5 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-11111273-B2 Cyclic peptides multimers targeting alpha-4-beta-7 integrin ITGB7, ITGB4, ITGA4 CDK5 2074/4885CDK5R1 2306/4885CCNA2 2273/4885
US-12077611-B2 Cyclic peptides multimers targeting α4β7 integrin ITGB7, ITGB4, ITGA4 CDK5 1516/4885CDK5R1 1956/4885CCNA2 2238/4885
US-20200216501-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ITGB7, ITGB4, ITGA4 CDK5 2074/4885CDK5R1 2306/4885CCNA2 2273/4885
US-20230406884-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ITGB7, ITGB4, ITGA4 CDK5 2074/4885CDK5R1 2306/4885CCNA2 2273/4885
US-11713338-B2 Cyclic peptides multimers targeting α-4-β-7 integrin ITGB7, ITGB4, ITGA4 CDK5 2302/4885CDK5R1 2663/4885CCNA2 2605/4885

“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.