Sugi Predict

Sugi Predict / Compounds / SCHEMBL6743997

SCHEMBL6743997

SCHEMBL6743997

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC1A5 Q15758 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CYP3A4 P08684 2/20 0.39
▸ CASP3 P42574 2/20 0.39
▸ SENP8 Q96LD8 2/20 0.39
▸ SENP7 Q9BQF6 2/20 0.39
▸ SENP6 Q9GZR1 2/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP12 P39900 1/20 0.39
▸ IDO1 P14902 2/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HSD17B10 Q99714 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
SCHEMBL7360797 0.84 SLC1A5 (0.55) SLC1A5L3MBTL1CYP3A4CASP3SENP8
SCHEMBL9333977 0.84 SLC1A5 (0.55) SLC1A5L3MBTL1CYP3A4CASP3SENP8
SCHEMBL6734655 0.82 KEAP1 (0.39) CYP3A4IDO1CYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL6742633 0.81 KEAP1 (0.38) CYP3A4IDO1CYP1A2CYP2D6CYP2C9
SCHEMBL7365885 0.80 SLC1A5 (0.46) SLC1A5L3MBTL1CYP3A4CASP3SENP8
SCHEMBL6270855 0.75 SLC1A5 (0.40) SLC1A5L3MBTL1CYP3A4CASP3SENP8
SCHEMBL9879139 0.75 GRIK1 (0.50) CYP3A4ALDH1A1TSHRHSD17B10SLC6A3
SCHEMBL4711848 0.74 CYP3A4 (0.46) CYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL8697093 0.74 CYP3A4 (0.46) CYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL10348290 0.74 CYP3A4 (0.46) CYP3A4ALDH1A1TSHRHSD17B10

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 SLC1A5 1/4885L3MBTL1 536/4885CYP3A4 4874/4885

“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.