SCHEMBL22190066

SCHEMBL22190066

N[C@@H](C(=O)O)C(c1ccccc1)c1ccccc1OC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
EPHX1 P07099 1/20 0.37
GAA P10253 1/20 0.35
SLC7A5 Q01650 1/20 0.35
MMP12 P39900 2/20 0.35
MMP13 P45452 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
CTSA P10619 1/20 0.34
RORC P51449 2/20 0.34
SLC1A3 P43003 2/20 0.34

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 0.82 IDO1 (0.49) ALDH1A1L3MBTL1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL27704330 0.75 SLC1A3 (0.44) SLC7A5SLC1A3SLC1A2SLC1A1CYP2D6
Trifluoroacetic Acid SCHEMBL918979 0.75 SLC1A3 (0.44) SLC7A5SLC1A3SLC1A2SLC1A1CYP2D6
SCHEMBL24180095 0.74 KCNK3 (0.38) KCNK3KCNK9RXRARXRBRXRG
SCHEMBL2108847 0.74 KCNK3 (0.49) KCNK3KCNK9RXRARXRBRXRG
SCHEMBL43672 0.74 DPP4 (0.52) SLC1A3SLC1A2SLC1A1CYP2D6MEN1
SCHEMBL502830 0.74 DPP4 (0.52) SLC1A3SLC1A2SLC1A1CYP2D6MEN1
SCHEMBL43670 0.74 DPP4 (0.52) SLC1A3SLC1A2SLC1A1CYP2D6MEN1
Hydrochloric Acid SCHEMBL7582981 0.72 DPP4 (0.50) ALDH1A1SLC1A3SLC1A2SLC1A1CYP2D6
Methane SCHEMBL29238636 0.72 DPP4 (0.50) SLC1A3SLC1A2SLC1A1CYP2D6MEN1

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 KCNK3 1613/4885KCNK9 912/4885RXRA 2945/4885
US-12077611-B2 Cyclic peptides multimers targeting α4β7 integrin ITGB7, ITGB4, ITGA4 KCNK3 1443/4885KCNK9 730/4885RXRA 2321/4885
US-20200216501-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ITGB7, ITGB4, ITGA4 KCNK3 1613/4885KCNK9 912/4885RXRA 2945/4885
US-20230406884-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ITGB7, ITGB4, ITGA4 KCNK3 1613/4885KCNK9 912/4885RXRA 2945/4885
US-11713338-B2 Cyclic peptides multimers targeting α-4-β-7 integrin ITGB7, ITGB4, ITGA4 KCNK3 1558/4885KCNK9 791/4885RXRA 2909/4885

“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.