SCHEMBL22190025

SCHEMBL22190025

CC(Nc1csc(-c2ccncc2)n1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 4/20 0.54
CDK5R1 Q15078 4/20 0.54
HPGD P15428 1/20 0.50
ROCK1 Q13464 1/20 0.45
GPR142 Q7Z601 1/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
AR P10275 1/20 0.42
MEN1 O00255 2/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
SHMT1 P34896 2/20 0.40
SHMT2 P34897 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL22190056 0.85 HDAC6 (0.53) MAPTKMT2AKDM4EMEN1NPC1
SCHEMBL22190003 0.79 PDE10A (0.50) CDK5CDK5R1MAPTKMT2AKDM4E
SCHEMBL12803498 0.77 CDK5 (0.69) CDK5CDK5R1HPGDROCK1GPR142
SCHEMBL10958749 0.76 CDK5 (0.63) CDK5CDK5R1HPGDROCK1GPR142
SCHEMBL5341105 0.75 CDK5 (0.81) CDK5CDK5R1HPGDROCK1GPR142
Water SCHEMBL10952781 0.75 CDK5 (0.62) CDK5CDK5R1HPGDROCK1GPR142
SCHEMBL8955938 0.74 HSD17B10 (0.41) HPGDLMNAMAPTKMT2AKDM4E
SCHEMBL7056328 0.74 CDK5 (0.68) CDK5CDK5R1HPGDROCK1GPR142
SCHEMBL10953155 0.73 HPGD (0.54) CDK5CDK5R1HPGDROCK1LMNA
SCHEMBL5689927 0.73 CDK5 (0.63) CDK5CDK5R1HPGDROCK1GPR142

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 2306/4885HPGD 4677/4885
US-12077611-B2 Cyclic peptides multimers targeting α4β7 integrin ITGB7, ITGB4, ITGA4 CDK5 1516/4885CDK5R1 1956/4885HPGD 4385/4885
US-20200216501-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ITGB7, ITGB4, ITGA4 CDK5 2074/4885CDK5R1 2306/4885HPGD 4677/4885
US-20230406884-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ITGB7, ITGB4, ITGA4 CDK5 2074/4885CDK5R1 2306/4885HPGD 4677/4885
US-11713338-B2 Cyclic peptides multimers targeting α-4-β-7 integrin ITGB7, ITGB4, ITGA4 CDK5 2302/4885CDK5R1 2663/4885HPGD 4725/4885

“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.