SCHEMBL22190013

SCHEMBL22190013

NCc1c(C(=O)O)ccc(C(=O)O)c1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 3/20 0.46
WDR5 P61964 1/20 0.43
PTGS2 P35354 1/20 0.42
HNF4A P41235 3/20 0.42
ACMSD Q8TDX5 2/20 0.42
ALOX15 P16050 1/20 0.41
DCLRE1A Q6PJP8 1/20 0.41
DCLRE1B Q9H816 1/20 0.41
FABP4 P15090 3/20 0.41
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 2/20 0.38
PIM1 P11309 1/20 0.38
GFER P55789 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
DHFR P00374 1/20 0.38
MCL1 Q07820 1/20 0.38

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
SCHEMBL28360290 0.80 CYP1A2 (0.50) ALDH1A1KDM4EPTGS2ALOX15MEN1
SCHEMBL332581 0.80 ALDH1A1 (0.57) ALDH1A1KDM4EWDR5HNF4AACMSD
SCHEMBL11691857 0.79 FABP4 (0.43) ALDH1A1KDM4EWDR5HNF4AACMSD
SCHEMBL6255456 0.77 RXRA (0.42) ALDH1A1KDM4EWDR5HNF4AACMSD
SCHEMBL8368463 0.76 HNF4A (0.58) ALDH1A1KDM4EHNF4AALOX15FABP4
SCHEMBL901069 0.76 ACMSD (0.61) ALDH1A1KDM4EWDR5HNF4AACMSD
SCHEMBL27669069 0.76 HMGB1 (0.55) ALDH1A1KDM4EALOX15HPGDMAPT
SCHEMBL30209232 0.75 WDR5 (0.44) ALDH1A1KDM4EWDR5HNF4AACMSD
SCHEMBL8205580 0.75 MAPT (0.65) ALDH1A1KDM4EALOX15MEN1HPGD
SCHEMBL9756514 0.75 WDR5 (0.47) ALDH1A1KDM4EWDR5HNF4AACMSD

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-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-20210300932-A1 CYCLIC PEPTIDES TARGETING ALPHA-4-BETA-7 INTEGRIN ZEALAND PHARMA A/S (DK) 2021-09-30 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 ALDH1A1 2543/4885KDM4E 2725/4885WDR5 3386/4885
US-20210300932-A1 CYCLIC PEPTIDES TARGETING ALPHA-4-BETA-7 INTEGRIN ITGB7, ITGB4, ITGA4 ALDH1A1 3123/4885KDM4E 2466/4885WDR5 3180/4885
US-20200216501-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ITGB7, ITGB4, ITGA4 ALDH1A1 2543/4885KDM4E 2725/4885WDR5 3386/4885
US-20230406884-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ITGB7, ITGB4, ITGA4 ALDH1A1 2543/4885KDM4E 2725/4885WDR5 3386/4885
US-11713338-B2 Cyclic peptides multimers targeting α-4-β-7 integrin ITGB7, ITGB4, ITGA4 ALDH1A1 2752/4885KDM4E 2786/4885WDR5 3338/4885

“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.