SCHEMBL22190047

SCHEMBL22190047

COc1ccc(-c2ccc(C(=O)O)cc2CN)c(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
TSHR P16473 2/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
RAB9A P51151 2/20 0.47
MAPK1 P28482 1/20 0.47
PKM P14618 1/20 0.46
TTR P02766 1/20 0.43
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
KMT2A Q03164 2/20 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
SCHEMBL23877802 0.83 LMNA (0.53) TPMTCA12CA1CA2CA4
SCHEMBL28993336 0.82 CA12 (0.62) TPMTCA12CA1CA2CA4
SCHEMBL18624970 0.81 TTR (0.46) CA12CA1CA2CA4CA6
SCHEMBL4601701 0.80 TPMT (0.56) TPMTCA12CA1CA2CA4
SCHEMBL4601447 0.79 LMNA (0.55) TPMTCA12CA1CA2CA4
SCHEMBL1251597 0.76 CA12 (0.62) TPMTCA12CA1CA2CA4
SCHEMBL29788180 0.75 CA1 (0.51) TPMTCA12CA1CA2CA4
SCHEMBL2044179 0.75 CA1 (0.51) TPMTCA12CA1CA2CA4
SCHEMBL1616095 0.73 STIM1 (0.54) TPMTCA12CA1CA2CA4
SCHEMBL21803820 0.73 TTR (0.51) TSHRRAB9ATTRKMT2AMEN1

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 TPMT 4671/4885CA12 1596/4885CA1 1920/4885
US-12077611-B2 Cyclic peptides multimers targeting α4β7 integrin ITGB7, ITGB4, ITGA4 TPMT 4406/4885CA12 1796/4885CA1 2713/4885
US-20200216501-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ITGB7, ITGB4, ITGA4 TPMT 4671/4885CA12 1596/4885CA1 1920/4885
US-20230406884-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ITGB7, ITGB4, ITGA4 TPMT 4671/4885CA12 1596/4885CA1 1920/4885
US-11713338-B2 Cyclic peptides multimers targeting α-4-β-7 integrin ITGB7, ITGB4, ITGA4 TPMT 4701/4885CA12 1812/4885CA1 2469/4885

“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.