SCHEMBL22190012

SCHEMBL22190012

COc1ccccc1C(c1ccccc1)[C@@H](N)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.49
TDO2 P48775 1/20 0.49
ACHE P22303 2/20 0.48
KMT2A Q03164 4/20 0.46
POLB P06746 2/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 2/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CRHBP P24387 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
SCHEMBL22190067 0.86 ACHE (0.47) IDO1TDO2ACHEKMT2APOLB
SCHEMBL22190066 0.82 KCNK3 (0.39) KMT2AL3MBTL1ALDH1A1MEN1
SCHEMBL9320152 0.80 ACHE (0.58) IDO1TDO2ACHEKMT2APOLB
SCHEMBL5289082 0.79 ACP3 (0.54) KMT2APOLBNPSR1L3MBTL1ALDH1A1
SCHEMBL43672 0.78 DPP4 (0.52) KMT2AMEN1
SCHEMBL43670 0.78 DPP4 (0.52) KMT2AMEN1
SCHEMBL502830 0.78 DPP4 (0.52) KMT2AMEN1
SCHEMBL12665837 0.78 KMT2A (0.53) IDO1TDO2ACHEKMT2APOLB
SCHEMBL8749509 0.78 KMT2A (0.53) IDO1TDO2ACHEKMT2APOLB
SCHEMBL30550438 0.78 KMT2A (0.53) IDO1TDO2ACHEKMT2APOLB

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 IDO1 4801/4885TDO2 4885/4885ACHE 3482/4885
US-12077611-B2 Cyclic peptides multimers targeting α4β7 integrin ITGB7, ITGB4, ITGA4 IDO1 4853/4885TDO2 4884/4885ACHE 3683/4885
US-20200216501-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ITGB7, ITGB4, ITGA4 IDO1 4801/4885TDO2 4885/4885ACHE 3482/4885
US-20230406884-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ITGB7, ITGB4, ITGA4 IDO1 4801/4885TDO2 4885/4885ACHE 3482/4885
US-11713338-B2 Cyclic peptides multimers targeting α-4-β-7 integrin ITGB7, ITGB4, ITGA4 IDO1 4819/4885TDO2 4885/4885ACHE 3421/4885

“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.