SCHEMBL22190002

SCHEMBL22190002

N[C@@H](Cc1ccccc1-c1cccnc1Br)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.46
NOS1 P29475 3/20 0.46
NOS2 P35228 3/20 0.46
PKM P14618 2/20 0.45
ALPI P09923 1/20 0.45
PTGS1 P23219 1/20 0.45
XIAP P98170 1/20 0.45
SLC7A5 Q01650 1/20 0.45
CYP1A2 P05177 1/20 0.44
KMT2A Q03164 2/20 0.42
HIF1A Q16665 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MPO P05164 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
PDCD1 Q15116 1/20 0.41

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
SCHEMBL22190000 1.00 NOS3 (0.46) NOS3NOS1NOS2PKMALPI
SCHEMBL5286221 0.87 CYP1A2 (0.50) NOS3NOS1NOS2PKMALPI
SCHEMBL10681044 0.87 CYP1A2 (0.50) NOS3NOS1NOS2PKMALPI
SCHEMBL22190024 0.84 PDCD1 (0.44) NOS3NOS1NOS2PKMALPI
SCHEMBL22190026 0.84 PDCD1 (0.44) NOS3NOS1NOS2PKMALPI
SCHEMBL22189971 0.80 KDM4E (0.45) NOS3NOS1NOS2PKMALPI
SCHEMBL22189962 0.80 KDM4E (0.45) NOS3NOS1NOS2PKMALPI
SCHEMBL22189960 0.80 KDM4E (0.45) NOS3NOS1NOS2PKMALPI
SCHEMBL2263038 0.76 CYP1A2 (0.51) NOS3NOS1NOS2PKMALPI
SCHEMBL25919489 0.76 CYP1A2 (0.51) NOS3NOS1NOS2PKMALPI

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 NOS3 3515/4885NOS1 3607/4885NOS2 3929/4885
US-12077611-B2 Cyclic peptides multimers targeting α4β7 integrin ITGB7, ITGB4, ITGA4 NOS3 3662/4885NOS1 3755/4885NOS2 4039/4885
US-20200216501-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ITGB7, ITGB4, ITGA4 NOS3 3515/4885NOS1 3607/4885NOS2 3929/4885
US-20230406884-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ITGB7, ITGB4, ITGA4 NOS3 3515/4885NOS1 3607/4885NOS2 3929/4885
US-11713338-B2 Cyclic peptides multimers targeting α-4-β-7 integrin ITGB7, ITGB4, ITGA4 NOS3 3518/4885NOS1 3530/4885NOS2 3835/4885

“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.