SCHEMBL22190038

SCHEMBL22190038

COc1cccc(Cl)c1-c1ccc(CC(N)C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 10/20 0.55
ITGA4 P13612 10/20 0.55
TPH1 P17752 6/20 0.48
SLC7A5 Q01650 2/20 0.48
ALPI P09923 1/20 0.48
PKM P14618 1/20 0.48
PTGS1 P23219 1/20 0.48
XIAP P98170 1/20 0.48
ITGB7 P26010 5/20 0.47

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
SCHEMBL22190039 1.00 ITGB1 (0.55) ITGB1ITGA4TPH1SLC7A5ALPI
SCHEMBL7227087 0.91 ITGB1 (0.56) ITGB1ITGA4TPH1SLC7A5ALPI
SCHEMBL5162726 0.91 ITGB1 (0.56) ITGB1ITGA4TPH1SLC7A5ALPI
Hydrochloric Acid SCHEMBL5159881 0.90 ITGB1 (0.55) ITGB1ITGA4TPH1SLC7A5ALPI
SCHEMBL22190007 0.88 GRIA2 (0.54) SLC7A5
SCHEMBL22190004 0.88 GRIA2 (0.54) SLC7A5
SCHEMBL7316787 0.86 TPH1 (0.52) ITGB1ITGA4TPH1SLC7A5ALPI
SCHEMBL7358780 0.85 ITGB1 (0.48) ITGB1ITGA4TPH1SLC7A5ALPI
SCHEMBL7314954 0.83 ITGB1 (0.47) ITGB1ITGA4TPH1SLC7A5ALPI
SCHEMBL7321702 0.82 ITGA4 (0.46) ITGB1ITGA4TPH1SLC7A5ALPI

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 ITGB1 4/4885ITGA4 3/4885TPH1 4883/4885
US-12077611-B2 Cyclic peptides multimers targeting α4β7 integrin ITGB7, ITGB4, ITGA4 ITGB1 4/4885ITGA4 3/4885TPH1 4883/4885
US-20200216501-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ITGB7, ITGB4, ITGA4 ITGB1 4/4885ITGA4 3/4885TPH1 4883/4885
US-20230406884-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ITGB7, ITGB4, ITGA4 ITGB1 4/4885ITGA4 3/4885TPH1 4883/4885
US-11713338-B2 Cyclic peptides multimers targeting α-4-β-7 integrin ITGB7, ITGB4, ITGA4 ITGB1 4/4885ITGA4 3/4885TPH1 4883/4885

“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.