SCHEMBL22190063

SCHEMBL22190063

N[C@H](Cc1cccc(-c2ccccc2OC(F)(F)F)c1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.57
FFAR1 O14842 2/20 0.54
GRIA2 P42262 1/20 0.54
SCN9A Q15858 7/20 0.50
CYP2C9 P11712 3/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 1/20 0.49
KCNH2 Q12809 1/20 0.49
DAGLA Q9Y4D2 1/20 0.49
ALPI P09923 1/20 0.49
PKM P14618 1/20 0.49
PTGS1 P23219 1/20 0.49
XIAP P98170 1/20 0.49
SLC7A5 Q01650 1/20 0.49
CTSA P10619 2/20 0.48

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
SCHEMBL22189994 1.00 MAPK1 (0.57) MAPK1FFAR1GRIA2SCN9ACYP2C9
SCHEMBL22189996 1.00 MAPK1 (0.57) MAPK1FFAR1GRIA2SCN9ACYP2C9
SCHEMBL22189998 0.86 MME (0.58) FFAR1DAGLAALPIPKMPTGS1
SCHEMBL22190001 0.86 MME (0.58) FFAR1DAGLAALPIPKMPTGS1
SCHEMBL22189983 0.84 MAPK1 (0.60) MAPK1FFAR1GRIA2ALPIPKM
SCHEMBL22189981 0.84 MAPK1 (0.60) MAPK1FFAR1GRIA2ALPIPKM
SCHEMBL22190008 0.84 MAPK1 (0.60) MAPK1FFAR1GRIA2ALPIPKM
SCHEMBL27730890 0.80 SCN9A (0.62) FFAR1SCN9ACYP2C9CYP3A4CYP2D6
SCHEMBL31688977 0.80 MAPK1 (0.64) MAPK1FFAR1GRIA2ALPIPKM
SCHEMBL22190061 0.79 NOS3 (0.48) SCN9AALPIPKMPTGS1XIAP

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 MAPK1 2523/4885FFAR1 2608/4885GRIA2 2746/4885
US-12077611-B2 Cyclic peptides multimers targeting α4β7 integrin ITGB7, ITGB4, ITGA4 MAPK1 2812/4885FFAR1 2462/4885GRIA2 2770/4885
US-20200216501-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ITGB7, ITGB4, ITGA4 MAPK1 2523/4885FFAR1 2608/4885GRIA2 2746/4885
US-20230406884-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ITGB7, ITGB4, ITGA4 MAPK1 2523/4885FFAR1 2608/4885GRIA2 2746/4885
US-11713338-B2 Cyclic peptides multimers targeting α-4-β-7 integrin ITGB7, ITGB4, ITGA4 MAPK1 2460/4885FFAR1 2560/4885GRIA2 2820/4885

“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.