SCHEMBL22190053

SCHEMBL22190053

COc1ccc(-c2ccccc2CC(N)C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.53
PPARA Q07869 4/20 0.51
PPARG P37231 2/20 0.51
FFAR1 O14842 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51
KIF11 P52732 3/20 0.50
TPH1 P17752 4/20 0.49
SLC1A5 Q15758 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
NOS3 P29474 2/20 0.48
NOS1 P29475 2/20 0.48
NOS2 P35228 2/20 0.48
BACE1 P56817 1/20 0.46
FGFR1 P11362 1/20 0.46
SRC P12931 1/20 0.46
FGFR2 P21802 1/20 0.46
FGFR4 P22455 1/20 0.46
FGFR3 P22607 1/20 0.46

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
SCHEMBL22190054 1.00 KMT2A (0.53) KMT2APPARAPPARGFFAR1FFAR4
SCHEMBL17060781 0.88 KIF11 (0.52) KMT2APPARAPPARGFFAR1FFAR4
SCHEMBL17060779 0.88 KIF11 (0.52) KMT2APPARAPPARGFFAR1FFAR4
SCHEMBL22189985 0.85 MAPK1 (0.54) KMT2ATPH1SLC1A5NOS3NOS1
SCHEMBL22189987 0.85 MAPK1 (0.54) KMT2ATPH1SLC1A5NOS3NOS1
SCHEMBL6171071 0.85 KMT2A (0.71) KMT2ATPH1NOS3NOS1NOS2
SCHEMBL19667642 0.85 KMT2A (0.71) KMT2ATPH1NOS3NOS1NOS2
SCHEMBL16967410 0.85 KMT2A (0.71) KMT2ATPH1NOS3NOS1NOS2
SCHEMBL8771914 0.85 KIF11 (0.46) KMT2APPARAPPARGKIF11TPH1
Hydrochloric Acid SCHEMBL7570098 0.84 TPH1 (0.45) KMT2APPARAPPARGKIF11TPH1

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 KMT2A 4390/4885PPARA 4309/4885PPARG 4287/4885
US-12077611-B2 Cyclic peptides multimers targeting α4β7 integrin ITGB7, ITGB4, ITGA4 KMT2A 4279/4885PPARA 4248/4885PPARG 4066/4885
US-20200216501-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ITGB7, ITGB4, ITGA4 KMT2A 4390/4885PPARA 4309/4885PPARG 4287/4885
US-20230406884-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ITGB7, ITGB4, ITGA4 KMT2A 4390/4885PPARA 4309/4885PPARG 4287/4885
US-11713338-B2 Cyclic peptides multimers targeting α-4-β-7 integrin ITGB7, ITGB4, ITGA4 KMT2A 4318/4885PPARA 4278/4885PPARG 4216/4885

“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.