SCHEMBL7073406

SCHEMBL7073406

CCCN(C1=C(O)CC(CCc2ccccc2)(c2ccccc2)OC1=O)c1cccc(SC)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 3/20 0.34
LDHA P00338 2/20 0.32
DRD2 P14416 1/20 0.31
OPRM1 P35372 1/20 0.31
DRD3 P35462 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTR1A P08908 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL7077918 0.89 UTS2R (0.36) UTS2RLDHADRD2OPRM1DRD3
SCHEMBL7074566 0.89 LDHA (0.35) UTS2RLDHADRD2OPRM1DRD3
SCHEMBL7079765 0.88 UTS2R (0.36) UTS2RLDHADRD2OPRM1DRD3
SCHEMBL7077656 0.88 UTS2R (0.36) UTS2RLDHADRD2OPRM1DRD3
SCHEMBL7077562 0.83 OPRM1 (0.34) UTS2RLDHADRD2OPRM1DRD3
SCHEMBL7143558 0.83 MTNR1A (0.37) UTS2R
SCHEMBL7079182 0.83 PPIB (0.34) UTS2RLDHADRD2
SCHEMBL7075170 0.81 LDHA (0.36) UTS2RLDHAOPRM1
SCHEMBL7078600 0.80 NPSR1 (0.38) LDHAOPRM1OPRD1OPRK1NPC1
SCHEMBL7073418 0.80 LDHA (0.38) UTS2RLDHAOPRM1

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 3413/4885LDHA 2167/4885DRD2 3439/4885

“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.