SCHEMBL5117878

SCHEMBL5117878

CC1(C)OC(=O)Nc2ccc(-c3cccc(CC(=O)O)c3)c(Cl)c21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 8/20 0.45
▸ GRIN2D O15399 1/20 0.41
▸ GRIN3B O60391 1/20 0.41
▸ GRIN1 Q05586 1/20 0.41
▸ GRIN2A Q12879 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ GRIN2C Q14957 1/20 0.41
▸ GRIN3A Q8TCU5 1/20 0.41
▸ SHMT1 P34896 1/20 0.39
▸ SHMT2 P34897 1/20 0.39
▸ FABP4 P15090 1/20 0.39
▸ PTPN11 Q06124 1/20 0.39
▸ PLA2G10 O15496 1/20 0.38
▸ PLA2G2A P14555 1/20 0.38
▸ NR1H2 P55055 1/20 0.38
▸ NR1H3 Q13133 1/20 0.38
▸ THRA P10827 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ NR3C1 P04150 1/20 0.37

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
SCHEMBL5125520 0.81 PGR (0.66) PGRNR3C1NR3C2AR
SCHEMBL5119765 0.81 PGR (0.47) PGRNR3C1NR3C2AR
SCHEMBL5112199 0.76 PGR (0.65) PGRNR3C1NR3C2AR
SCHEMBL5124648 0.76 PGR (0.47) PGRNR3C1NR3C2AR
SCHEMBL5119188 0.68 PGR (0.43) PGRNR3C1NR3C2AR
SCHEMBL23296156 0.68 SHMT1 (0.74) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17187933 0.67 PLA2G10 (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4079253 0.67 FFAR1 (0.57) SHMT1SHMT2FABP4PLA2G10PLA2G2A
SCHEMBL3839813 0.66 PLA2G10 (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5115070 0.65 PGR (0.47) PGRNR3C1NR3C2AR

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 6 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-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 194/4885GRIN2D 791/4885GRIN3B 189/4885

“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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