SCHEMBL6323559

SCHEMBL6323559

C[C@]12CCC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4OC(CBr)O[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 17/20 0.57
▸ PGR P06401 6/20 0.53
▸ LMNA P02545 2/20 0.53
▸ CYP3A4 P08684 1/20 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
▸ AR P10275 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ ESR1 P03372 2/20 0.49

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
Rofleponide SCHEMBL8505525 0.92 NR3C1 (0.68) NR3C1PGRLMNACYP3A4MAPT
Rofleponide SCHEMBL74762 0.92 NR3C1 (0.68) NR3C1PGRLMNACYP3A4MAPT
Rofleponide SCHEMBL23803954 0.92 NR3C1 (0.68) NR3C1PGRLMNACYP3A4MAPT
Rofleponide SCHEMBL7196822 0.92 NR3C1 (0.68) NR3C1PGRLMNACYP3A4MAPT
Rofleponide SCHEMBL5506220 0.92 NR3C1 (0.68) NR3C1PGRLMNACYP3A4MAPT
Rofleponide SCHEMBL6449744 0.90 NR3C1 (0.64) NR3C1PGRLMNACYP3A4MAPT
SCHEMBL4734726 0.86 NR3C1 (0.70) NR3C1PGRLMNACYP3A4MAPT
SCHEMBL6329468 0.86 NR3C1 (0.65) NR3C1PGRLMNACYP3A4MAPT
SCHEMBL8204804 0.85 NR3C1 (0.67) NR3C1PGRLMNACYP3A4MAPT
SCHEMBL8674574 0.85 NR3C1 (0.70) NR3C1PGRLMNACYP3A4MAPT

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 495/4885PGR 711/4885LMNA 3880/4885
US-20050070515-A1 Compounds LCT, LPO, LIPE NR3C1 3143/4885PGR 3923/4885LMNA 3427/4885

“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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