Sugi Predict

Sugi Predict / Compounds / SCHEMBL22190019

SCHEMBL22190019

SCHEMBL22190019

N[C@@H](C(=O)O)C(c1ccccc1)c1cccc2ncccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ NSD2 O96028 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ P2RX7 Q99572 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ PABPC1 P11940 2/20 0.37
▸ EIF4H Q15056 2/20 0.37
▸ ABCB1 P08183 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ RAB9A P51151 1/20 0.35

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
SCHEMBL22189995 0.92 ALDH1A1 (0.42) ALDH1A1KDM4ENSD2SMN1; SMN2LMNA
SCHEMBL17875280 0.78 KDM4E (0.47) ALDH1A1KDM4ENSD2MEN1KMT2A
SCHEMBL25108902 0.75 ALDH1A1 (0.47) ALDH1A1KDM4ENSD2MEN1KMT2A
SCHEMBL6631895 0.74 MEN1 (0.45) ALDH1A1KDM4ENSD2MEN1KMT2A
SCHEMBL16154381 0.72 KDM4E (0.47) ALDH1A1KDM4ENSD2MEN1KMT2A
SCHEMBL28168711 0.72 MEN1 (0.50) ALDH1A1KDM4ENSD2MEN1KMT2A
Carbamic Acid SCHEMBL29625257 0.72 CYP2D6 (0.48) MEN1KMT2ALMNA
SCHEMBL43672 0.72 DPP4 (0.52) MEN1KMT2ALMNA
SCHEMBL502830 0.72 DPP4 (0.52) MEN1KMT2ALMNA
SCHEMBL43670 0.72 DPP4 (0.52) MEN1KMT2ALMNA

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 4 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-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 (4 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 2725/4885NSD2 4637/4885
US-20200216501-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ITGB7, ITGB4, ITGA4 ALDH1A1 2543/4885KDM4E 2725/4885NSD2 4637/4885
US-20230406884-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ITGB7, ITGB4, ITGA4 ALDH1A1 2543/4885KDM4E 2725/4885NSD2 4637/4885
US-11713338-B2 Cyclic peptides multimers targeting α-4-β-7 integrin ITGB7, ITGB4, ITGA4 ALDH1A1 2752/4885KDM4E 2786/4885NSD2 4604/4885

“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.