SCHEMBL5118017

SCHEMBL5118017

CCC1OC(=S)Nc2ccc(-c3cccc(C(F)(F)F)c3)c(Cl)c21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ PGR P06401 5/20 0.35
▸ PRMT3 O60678 1/20 0.34
▸ CARM1 Q86X55 1/20 0.34
▸ PRMT6 Q96LA8 1/20 0.34
▸ PRMT1 Q99873 1/20 0.34
▸ PRMT8 Q9NR22 1/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ RCOR1 Q9UKL0 1/20 0.34
▸ CHRM1 P11229 2/20 0.34
▸ HTR1A P08908 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ NR3C2 P08235 1/20 0.33
▸ AR P10275 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 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
SCHEMBL5112467 0.88 NOTUM (0.37) PGRNR3C1ARRORCRORB
SCHEMBL5118641 0.86 PGR (0.44) KMT2AATMPGRCHRM1HTR1A
SCHEMBL5117893 0.81 PGR (0.45) PGRAR
SCHEMBL5125049 0.76 PGR (0.48) PGRRORCRORB
SCHEMBL5127168 0.75 PDE3B (0.39) PGRNR3C1ARRORCRORB
SCHEMBL5126113 0.69 PGR (0.40) PGRESR1NR3C1NR3C2AR
SCHEMBL5124648 0.67 PGR (0.47) PGRNR3C1NR3C2ARRORC
SCHEMBL5496654 0.65 PGR (0.56) PGRESR1NR3C1NR3C2AR
SCHEMBL5126385 0.62 PGR (0.44) PGR
SCHEMBL11967667 0.62 RORB (0.51) KMT2AHTR1AHTR7KDM4EMEN1

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 KMT2A 3922/4885ATM 4655/4885PGR 194/4885

“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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