SCHEMBL5112133

SCHEMBL5112133

CN1C(=O)OC(C)(C)c2c1ccc(-c1cccc(C#N)c1)c2Cl

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 7/20 0.42
▸ BACE1 P56817 8/20 0.40
▸ CTSD P07339 4/20 0.40
▸ BRD4 O60885 2/20 0.39
▸ CHEK1 O14757 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ GABRA1 P14867 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ GABRA3 P34903 1/20 0.36
▸ GABRA2 P47869 1/20 0.36

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
SCHEMBL5112199 0.78 PGR (0.65) PGRCHEK1
SCHEMBL5499012 0.72 PGR (0.41) PGRBACE1CTSDBRD4CHEK1
SCHEMBL5509127 0.70 PGR (0.37) PGRBACE1CTSDBRD4CHEK1
SCHEMBL5111383 0.65 PGR (0.69) PGR
SCHEMBL11555464 0.64 BRD4 (0.54) PGRBACE1BRD4CHEK1
SCHEMBL4849305 0.64 PGR (0.47) PGRBACE1CTSD
SCHEMBL5506294 0.64 PGR (0.65) PGR
SCHEMBL5868926 0.63 PGR (0.48) PGRBACE1CTSDCHEK1
SCHEMBL4847682 0.63 PGR (0.72) PGR
SCHEMBL3920748 0.62 BRD4 (0.55) PGRBRD4CHEK1

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 8 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
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

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 194/4885BACE1 2198/4885CTSD 4127/4885

“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