Sugi Predict

Sugi Predict / Compounds / SCHEMBL6734655

SCHEMBL6734655

SCHEMBL6734655

C=CCOC(=O)[C@H](CCCC(N)C(=O)OCc1ccccc1Cl)NCCNC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 3/20 0.39
▸ NFE2L2 Q16236 3/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ADRB2 P07550 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ CTSK P43235 2/20 0.34
▸ MALT1 Q9UDY8 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 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
Hydrochloric Acid SCHEMBL6742633 0.99 KEAP1 (0.38) KEAP1NFE2L2KMT2AALDH1A1MEN1
SCHEMBL6743997 0.82 SLC1A5 (0.43) KEAP1NFE2L2ALDH1A1TSHRMAPT
SCHEMBL9496401 0.79 PPARA (0.44) ALDH1A1TSHRIDO1CTSKCYP1A2
SCHEMBL9556905 0.79 PPARA (0.44) ALDH1A1TSHRIDO1CTSKCYP1A2
SCHEMBL6263939 0.76 MEN1 (0.37) KEAP1NFE2L2KMT2AALDH1A1MEN1
Hydrochloric Acid SCHEMBL6264681 0.75 MEN1 (0.37) KEAP1NFE2L2KMT2AALDH1A1MEN1
SCHEMBL2742774 0.74 KMT2A (0.49) KMT2AMEN1MAPTNPSR1TDP1
SCHEMBL13464451 0.74 KMT2A (0.49) KMT2AMEN1MAPTNPSR1TDP1
Lysine SCHEMBL11590831 0.73 ALDH1A1 (0.42) ALDH1A1TSHRCTSKCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL28852622 0.73 KMT2A (0.48) KMT2AMEN1MAPTNPSR1TDP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6686442-B2 PEPTIDE NUCLEIC ACID FOR USE IN VETERINARY MEDICINE Neilsen, Peter E. (DK) 2004-02-03 — — US disclosed
US-20020188101-A1 Conjugated peptide nucleic acids having enhanced cellular uptake ISIS PHARMACEUTICALS, INC. 2002-12-12 — — US disclosed
EP-1003480-A4 CONJUGATED PEPTIDE NUCLEIC ACIDS HAVING ENHANCED CELLULAR UPTAKE NIELSEN PETER EIGIL (DK) 2002-04-17 — — EP disclosed
US-6350853-B1 PEPTIDE NUCLEIC ACIDS CONJUGATED TO LIPOPHILIC GROUP AND HAVING MODIFIED BACKBONE WHEREIN AMINO ACID SIDE CHAIN IS ATTACHED TO BACKBONE Nielsen, Peter E. (DK) 2002-02-26 — — US disclosed
EP-1003480-A1 CONJUGATED PEPTIDE NUCLEIC ACIDS HAVING ENHANCED CELLULAR UPTAKE NIELSEN, Peter Eigil (DK) 2000-05-31 — — EP disclosed
WO-1998053801-A1 CONJUGATED PEPTIDE NUCLEIC ACIDS HAVING ENHANCED CELLULAR UPTAKE ISIS PHARMACEUTICALS, INC. (US) 1998-12-03 — — WO 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 (1 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-20020188101-A1 Conjugated peptide nucleic acids having enhanced cellular uptake SLC1A5, SLC7A1, SLC29A1 KEAP1 3861/4885NFE2L2 2909/4885KMT2A 2252/4885

“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.