SCHEMBL22190067

SCHEMBL22190067

COc1cccc(OC)c1C(c1ccccc1)[C@@H](N)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.47
KMT2A Q03164 4/20 0.45
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA12 O43570 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
KDM4E B2RXH2 1/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
MEN1 O00255 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39

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
SCHEMBL22190012 0.86 IDO1 (0.49) ACHEKMT2ACA1CA2CA12
SCHEMBL9320774 0.82 ACHE (0.58) ACHEKMT2ACA1CA2CA12
SCHEMBL5289082 0.78 ACP3 (0.54) KMT2AALDH1A1MEN1POLBMAPT
SCHEMBL43672 0.77 DPP4 (0.52) KMT2AMEN1
SCHEMBL43670 0.77 DPP4 (0.52) KMT2AMEN1
SCHEMBL502830 0.77 DPP4 (0.52) KMT2AMEN1
Hydrochloric Acid SCHEMBL4799572 0.75 DPP4 (0.50) KMT2AALDH1A1MEN1
Hydrochloric Acid SCHEMBL7582981 0.75 DPP4 (0.50) KMT2AALDH1A1MEN1
Hydrochloric Acid SCHEMBL9445669 0.75 DPP4 (0.50) KMT2AALDH1A1MEN1
Methane SCHEMBL29238636 0.75 DPP4 (0.50) KMT2AMEN1

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 ACHE 3482/4885KMT2A 4390/4885CA1 1920/4885
US-12077611-B2 Cyclic peptides multimers targeting α4β7 integrin ITGB7, ITGB4, ITGA4 ACHE 3683/4885KMT2A 4279/4885CA1 2713/4885
US-20200216501-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ITGB7, ITGB4, ITGA4 ACHE 3482/4885KMT2A 4390/4885CA1 1920/4885
US-20230406884-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ITGB7, ITGB4, ITGA4 ACHE 3482/4885KMT2A 4390/4885CA1 1920/4885
US-11713338-B2 Cyclic peptides multimers targeting α-4-β-7 integrin ITGB7, ITGB4, ITGA4 ACHE 3421/4885KMT2A 4318/4885CA1 2469/4885

“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.