SCHEMBL12398442

SCHEMBL12398442

C[C@@H]1CC2C3CCC4=CC(=O)C=CC4(C)[C@@]3(Cl)[C@@H](O)CC2(C)[C@@]1(OC(=O)c1ccco1)C(=O)SCc1ccccn1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 8/20 0.73
▸ CYP3A4 P08684 7/20 0.73
▸ PGR P06401 6/20 0.73
▸ ABCB11 O95342 4/20 0.73
▸ LMNA P02545 4/20 0.73
▸ AR P10275 3/20 0.73
▸ ADORA3 P0DMS8 3/20 0.73
▸ PTGS1 P23219 2/20 0.73
▸ CYP2D6 P10635 2/20 0.73
▸ CYP2C9 P11712 2/20 0.73
▸ CYP1A2 P05177 1/20 0.73
▸ CYP2C19 P33261 1/20 0.73
▸ SLCO1B3 Q9NPD5 1/20 0.73
▸ SLCO1B1 Q9Y6L6 1/20 0.73
▸ CNR1 P21554 2/20 0.55
▸ NR3C2 P08235 1/20 0.55
▸ USP2 O75604 4/20 0.54
▸ HIF1A Q16665 3/20 0.54
▸ CHRM1 P11229 1/20 0.54
▸ TBXA2R P21731 1/20 0.54

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
SCHEMBL13950974 0.88 NR3C1 (0.79) NR3C1CYP3A4PGRABCB11LMNA
SCHEMBL12397410 0.87 NR3C1 (0.76) NR3C1CYP3A4PGRABCB11LMNA
SCHEMBL12396774 0.87 NR3C1 (0.68) NR3C1CYP3A4PGRABCB11LMNA
SCHEMBL12396688 0.86 NR3C1 (0.85) NR3C1CYP3A4PGRABCB11LMNA
SCHEMBL4208384 0.86 NR3C1 (0.75) NR3C1CYP3A4PGRABCB11LMNA
SCHEMBL13928683 0.86 NR3C1 (0.75) NR3C1CYP3A4PGRABCB11LMNA
SCHEMBL12398451 0.86 NR3C1 (0.70) NR3C1CYP3A4PGRABCB11LMNA
Mometasone Furoate SCHEMBL25382496 0.85 CYP3A4 (1.00) NR3C1CYP3A4PGRABCB11LMNA
Mometasone Furoate SCHEMBL4568 0.85 CYP3A4 (1.00) NR3C1CYP3A4PGRABCB11LMNA
Mometasone Furoate SCHEMBL7436523 0.85 CYP3A4 (1.00) NR3C1CYP3A4PGRABCB11LMNA

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-8524697-B2 C20-C21 substituted glucocorticoid receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-09-03 — — US disclosed
US-8524697-B2 C20-C21 substituted glucocorticoid receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-09-03 — — US disclosed
US-20110182828-A1 C20-C21 SUBSTITUTED GLUCOCORTICOID RECEPTOR AGONISTS SCHERING CORPORATION (US) 2011-07-28 — — US disclosed
US-20110182828-A1 C20-C21 SUBSTITUTED GLUCOCORTICOID RECEPTOR AGONISTS SCHERING CORPORATION (US) 2011-07-28 — — 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-20110182828-A1 C20-C21 SUBSTITUTED GLUCOCORTICOID RECEPTOR AGONISTS NR3C1, MC2R, NR3C2 NR3C1 1/4885CYP3A4 342/4885PGR 318/4885

“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.

Send feedback