SCHEMBL22190065

SCHEMBL22190065

COc1cccc(OC)c1-c1cccc(CC(N)C(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.60
SLC7A5 Q01650 6/20 0.58
NOS3 P29474 3/20 0.52
NOS1 P29475 3/20 0.52
NOS2 P35228 3/20 0.52
ALPI P09923 1/20 0.51
PKM P14618 1/20 0.51
PTGS1 P23219 1/20 0.51
XIAP P98170 1/20 0.51
HTR1A P08908 1/20 0.50
HTR7 P34969 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL22190064 1.00 GRIA2 (0.60) GRIA2SLC7A5NOS3NOS1NOS2
SCHEMBL22190007 0.91 GRIA2 (0.54) GRIA2SLC7A5NOS3NOS1NOS2
SCHEMBL22190004 0.91 GRIA2 (0.54) GRIA2SLC7A5NOS3NOS1NOS2
SCHEMBL3318550 0.87 TPH1 (0.50) GRIA2SLC7A5
SCHEMBL22190008 0.87 MAPK1 (0.60) GRIA2SLC7A5NOS3NOS1NOS2
SCHEMBL22189981 0.87 MAPK1 (0.60) GRIA2SLC7A5NOS3NOS1NOS2
SCHEMBL22189983 0.87 MAPK1 (0.60) GRIA2SLC7A5NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL3313204 0.86 TPH1 (0.51) GRIA2SLC7A5
SCHEMBL7227087 0.86 ITGB1 (0.56) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL5162726 0.86 ITGB1 (0.56) SLC7A5ALPIPKMPTGS1XIAP

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 GRIA2 2746/4885SLC7A5 2407/4885NOS3 3515/4885
US-12077611-B2 Cyclic peptides multimers targeting α4β7 integrin ITGB7, ITGB4, ITGA4 GRIA2 2770/4885SLC7A5 2076/4885NOS3 3662/4885
US-20200216501-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ITGB7, ITGB4, ITGA4 GRIA2 2746/4885SLC7A5 2407/4885NOS3 3515/4885
US-20230406884-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ITGB7, ITGB4, ITGA4 GRIA2 2746/4885SLC7A5 2407/4885NOS3 3515/4885
US-11713338-B2 Cyclic peptides multimers targeting α-4-β-7 integrin ITGB7, ITGB4, ITGA4 GRIA2 2820/4885SLC7A5 2493/4885NOS3 3518/4885

“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.