SCHEMBL7074622

SCHEMBL7074622

CCCN(C1=C(O)CC(CCc2ccccc2)(c2ccc(OCCO)cc2)OC1=O)c1cccc(OS(=O)(=O)N(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 3/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL7143558 0.89 MTNR1A (0.37) UTS2RMTNR1AMTNR1BBCHEACHE
SCHEMBL7078827 0.88 DRD2 (0.34) UTS2RBCHEACHE
SCHEMBL7074205 0.88 UTS2R (0.36) UTS2RBCHE
SCHEMBL7077614 0.87 UTS2R (0.35) UTS2RBCHEACHE
SCHEMBL7079765 0.79 UTS2R (0.36) UTS2RMTNR1B
SCHEMBL6295657 0.78 ESR1 (0.35)
SCHEMBL7077918 0.78 UTS2R (0.36) UTS2R
SCHEMBL7074566 0.77 LDHA (0.35) UTS2R
SCHEMBL7077656 0.77 UTS2R (0.36) UTS2R
SCHEMBL7075204 0.77 UTS2R (0.35) UTS2RBCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030171425-A1 HIV protease inhibitors BOYER FREDERICK EARL (US) 2003-09-11 US claimed
US-6512006-B1 Novel 3-position Nitrogen substituted 6,6- disubstituted-5, 6-dihydropyrones and related compounds possess antiviral properties WARNER-LAMBERT COMPANY 2003-01-28 US claimed

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-20030171425-A1 HIV protease inhibitors DNPEP, PRSS1, PREP UTS2R 3413/4885MTNR1A 4748/4885MTNR1B 4693/4885

“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.