SCHEMBL5118641

SCHEMBL5118641

CC1OC(=S)Nc2ccc(-c3cccc(C(F)(F)F)c3)c(Cl)c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 6/20 0.44
▸ NR3C1 P04150 3/20 0.36
▸ AR P10275 3/20 0.36
▸ CHRM1 P11229 2/20 0.35
▸ RORC P51449 1/20 0.35
▸ RORB Q92753 1/20 0.35
▸ AKR1C3 P42330 3/20 0.35
▸ AKR1C2 P52895 3/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ NR3C2 P08235 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ NOTUM Q6P988 1/20 0.34
▸ PARP10 Q53GL7 1/20 0.34
▸ PARP11 Q9NR21 1/20 0.34
▸ IKBKB O14920 1/20 0.34
▸ KIF11 P52732 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
SCHEMBL5127168 0.87 PDE3B (0.39) PGRNR3C1ARRORCRORB
SCHEMBL5118017 0.86 KMT2A (0.35) PGRNR3C1ARCHRM1RORC
SCHEMBL5125049 0.78 PGR (0.48) PGRRORCRORB
SCHEMBL5112467 0.75 NOTUM (0.37) PGRNR3C1ARRORCRORB
SCHEMBL5126113 0.72 PGR (0.40) PGRNR3C1ARAKR1C3AKR1C2
SCHEMBL5124648 0.69 PGR (0.47) PGRNR3C1ARRORCRORB
SCHEMBL5496654 0.67 PGR (0.56) PGRNR3C1ARESR1NR3C2
SCHEMBL5117893 0.67 PGR (0.45) PGRAR
SCHEMBL5126385 0.65 PGR (0.44) PGR
SCHEMBL11967667 0.64 RORB (0.51) RORCRORBKMT2AHTR1AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442696-B2 Mineralocorticoid receptor modulator compounds, processes for their preparation, and their uses LIGAND PHARMACEUTICALS, INC. (US) 2008-10-28 — — US claimed
US-20070197520-A1 MINERALOCORTICOID RECEPTOR MODULATOR COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND THEIR USES LIGAND PHARMACEUTICALS INC. 2007-08-23 — — US claimed
WO-2006010142-A2 MINERALOCORTICOID RECEPTOR MODULATOR COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND THEIR USE LIGAND PHARMACEUTICALS, INC. (US) 2006-01-26 — — WO claimed
US-7442696-B2 Mineralocorticoid receptor modulator compounds, processes for their preparation, and their uses LIGAND PHARMACEUTICALS, INC. (US) 2008-10-28 — — US disclosed
US-7442696-B2 Mineralocorticoid receptor modulator compounds, processes for their preparation, and their uses LIGAND PHARMACEUTICALS, INC. (US) 2008-10-28 — — US disclosed
US-7442696-B2 Mineralocorticoid receptor modulator compounds, processes for their preparation, and their uses LIGAND PHARMACEUTICALS, INC. (US) 2008-10-28 — — US disclosed
US-20070197520-A1 MINERALOCORTICOID RECEPTOR MODULATOR COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND THEIR USES LIGAND PHARMACEUTICALS INC. 2007-08-23 — — US disclosed
US-20070197520-A1 MINERALOCORTICOID RECEPTOR MODULATOR COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND THEIR USES LIGAND PHARMACEUTICALS INC. 2007-08-23 — — US disclosed
US-20070197520-A1 MINERALOCORTICOID RECEPTOR MODULATOR COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND THEIR USES LIGAND PHARMACEUTICALS INC. 2007-08-23 — — US disclosed
WO-2006010142-A2 MINERALOCORTICOID RECEPTOR MODULATOR COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND THEIR USE LIGAND PHARMACEUTICALS, INC. (US) 2006-01-26 — — 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 (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-20070197520-A1 MINERALOCORTICOID RECEPTOR MODULATOR COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND THEIR USES NR3C2, MC2R, NR3C1 PGR 194/4885NR3C1 3/4885AR 50/4885

“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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