SCHEMBL6295752

SCHEMBL6295752

CCCN(C1=C(O)CC(C)(CCc2ccc(O)cc2)OC1=O)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.38
ATIC P31939 1/20 0.37
PARP1 P09874 1/20 0.36
HSD17B1 P14061 3/20 0.36
HSD17B2 P37059 3/20 0.36
BRPF1 P55201 2/20 0.34
BRD4 O60885 2/20 0.34
SMARCA2 P51531 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AR P10275 1/20 0.33
MAOA P21397 1/20 0.33
PGAM1 P18669 1/20 0.33
LIMK1 P53667 1/20 0.32
LIMK2 P53671 1/20 0.32
MLNR O43193 1/20 0.32
GPR119 Q8TDV5 1/20 0.32

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
SCHEMBL7077467 0.80 OPRM1 (0.34) LMNASMN1; SMN2
SCHEMBL6295928 0.79 ESRRG (0.32) LMNASMN1; SMN2
SCHEMBL7081436 0.78 MTNR1B (0.32) LMNASMN1; SMN2
SCHEMBL7077373 0.78 LMNA (0.33) LMNASMN1; SMN2
SCHEMBL6295957 0.78 ESR1 (0.36) LMNASMN1; SMN2
SCHEMBL7080698 0.76 ESRRG (0.35) LMNASMN1; SMN2
SCHEMBL7077370 0.76 OPRM1 (0.34) PARP1HSD17B1
SCHEMBL7078739 0.74 MTNR1A (0.31) MAOA
SCHEMBL7080670 0.70 LMNA (0.36) LMNASMN1; SMN2
SCHEMBL7073710 0.70 LMNA (0.36) LMNASMN1; SMN2

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 5 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
US-6927217-B2 HIV protease inhibitors WARNER-LAMBERT COMPANY (US) 2005-08-09 US disclosed
US-20030171425-A1 HIV protease inhibitors BOYER FREDERICK EARL (US) 2003-09-11 US disclosed
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 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-20030171425-A1 HIV protease inhibitors DNPEP, PRSS1, PREP KDM1A 1272/4885ATIC 1658/4885PARP1 496/4885

“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.