SCHEMBL6699765

SCHEMBL6699765

CC(C)C(O)(CCc1ccc(F)cc1)CC(=O)n1ccnc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.42
CYP24A1 Q07973 3/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
TBXAS1 P24557 3/20 0.35
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
KCNH2 Q12809 1/20 0.34
CYP17A1 P05093 1/20 0.34

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
SCHEMBL6699772 0.89 HMOX1 (0.41)
SCHEMBL6694813 0.88 CYP24A1 (0.43) CYP24A1TBXAS1
SCHEMBL6694121 0.88 CYP24A1 (0.33) CYP24A1CYP11B1CYP11B2TBXAS1
SCHEMBL6694672 0.87 CYP11B1 (0.42) CYP19A1CYP11B1CYP11B2
SCHEMBL7638503 0.86 TBXAS1 (0.42) CYP24A1TBXAS1CYP17A1
SCHEMBL7638512 0.86 TBXAS1 (0.42) CYP24A1TBXAS1CYP17A1
SCHEMBL6692213 0.84 NR3C2 (0.39) KCNH2
SCHEMBL6701352 0.82 P2RX7 (0.35)
SCHEMBL6694999 0.82 LNPEP (0.35) CYP11B1CYP11B2CYP17A1
SCHEMBL7642166 0.81 HMOX1 (0.52) CYP19A1CYP24A1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040106606-A1 HIV protease inhibitors BOYER FREDERICK EARL (US) 2004-06-03 US claimed
US-6528510-B1 Dihydropyrones with tethered heterocycles; 3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsulfanyl)-4-hydroxy-6 -isopropyl-6-(2-pyridin-4-yl-ethyl)-5,6-dihydro-pyran - 2-one; WARNER-LAMBERT COMPANY 2003-03-04 US claimed
EP-1112269-A2 HIV PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-07-04 EP claimed
WO-2000015634-A2 HIV PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-03-23 WO 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-20040106606-A1 HIV protease inhibitors DNPEP, PREP, PEPD CYP19A1 1348/4885CYP24A1 1340/4885CYP11B1 1978/4885

“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.