SCHEMBL7078058

SCHEMBL7078058

CC(C)c1ccccc1NC1=C(O)CC(c2ccccc2)(c2ccccc2)OC1=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LDHA P00338 7/20 0.41
LDHB P07195 6/20 0.41
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
CCR6 P51684 1/20 0.34
BUB1 O43683 1/20 0.34
NLRP3 Q96P20 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7441906 0.88 LDHA (0.38) LDHALDHBMAPT
SCHEMBL7130504 0.74 LDHA (0.38) LDHALDHBL3MBTL1MAPTKMT2A
SCHEMBL6607156 0.73 LDHA (0.68) LDHALDHB
SCHEMBL6603648 0.73 LDHA (0.41) LDHALDHBGABRA1GABRB2
SCHEMBL9026061 0.70 LDHA (0.43) LDHALDHBMAPT
SCHEMBL6609761 0.68 LDHA (0.63) LDHALDHB
SCHEMBL6604700 0.67 LDHA (0.58) LDHALDHB
SCHEMBL6603297 0.67 LDHA (0.58) LDHALDHB
SCHEMBL6604488 0.67 LDHA (0.52) LDHALDHBMAPT
SCHEMBL6606193 0.66 LDHA (0.64) LDHALDHB

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 LDHA 2167/4885LDHB 1995/4885L3MBTL1 1238/4885

“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.