SCHEMBL6324239

SCHEMBL6324239

CC(=O)C(O)C(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 9/20 0.56
▸ CYP3A4 P08684 5/20 0.56
▸ PGR P06401 5/20 0.56
▸ AR P10275 4/20 0.56
▸ USP2 O75604 1/20 0.56
▸ HIF1A Q16665 6/20 0.53
▸ LMNA P02545 4/20 0.53
▸ MAPT P10636 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ ABCB11 O95342 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ NR1I2 O75469 1/20 0.44

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
SCHEMBL11682502 0.92 NR3C1 (0.58) NR3C1CYP3A4PGRARUSP2
SCHEMBL11682563 0.91 NR3C1 (0.59) NR3C1CYP3A4PGRARUSP2
SCHEMBL7080634 0.91 NR3C1 (0.62) NR3C1CYP3A4PGRARUSP2
SCHEMBL11682590 0.90 NR3C1 (0.58) NR3C1CYP3A4PGRARUSP2
SCHEMBL11680004 0.90 NR3C1 (0.58) NR3C1CYP3A4PGRARUSP2
SCHEMBL7905893 0.88 NR3C1 (0.58) NR3C1CYP3A4PGRARUSP2
SCHEMBL4734726 0.87 NR3C1 (0.70) NR3C1CYP3A4PGRARUSP2
SCHEMBL4734156 0.85 NR3C1 (0.72) NR3C1CYP3A4PGRARUSP2
SCHEMBL11682910 0.83 NR3C1 (0.58) NR3C1CYP3A4PGRARUSP2
SCHEMBL11681148 0.83 NR3C1 (0.59) NR3C1CYP3A4PGRARUSP2

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-20050070515-A1 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2005-03-31 — — US disclosed
EP-0998484-B1 METHOD OF IDENTIFYING COMPOUNDS HAVING REDUCED SYSTEMIC EFFECTS GLAXO GROUP LTD (GB) 2004-03-03 — — EP disclosed
US-20020019378-A1 COMPOUNDS GLAXO WELLCOME INC. 2002-02-14 — — US disclosed
EP-0998484-A1 THARAPEUTICALLY ACTIVE COMPOUNDS WITH LOW SYSTEMIC ACTIVITY DUE TO REDUCED HALF-LIFE GLAXO GROUP LIMITED (GB) 2000-05-10 — — EP disclosed
WO-1999001467-A2 THERAPEUTICALLY ACTIVE COMPOUNDS WITH LOW SYSTEMIC ACTIVITY DUE TO REDUCE HALF LIFE GLAXO GROUP LIMITED (GB) 1999-01-14 — — WO 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 (2 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-20020019378-A1 COMPOUNDS ATP6V1E1, PSME1, ATP6V1H NR3C1 495/4885CYP3A4 2558/4885PGR 711/4885
US-20050070515-A1 Compounds LCT, LPO, LIPE NR3C1 3143/4885CYP3A4 234/4885PGR 3923/4885

“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.

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