SCHEMBL5111296

SCHEMBL5111296

CC(C)(O)c1ccc(Cl)cc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.54
▸ CYP3A4 P08684 5/20 0.50
▸ TSHR P16473 4/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ ALOX15 P16050 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ TP53 P04637 1/20 0.48
▸ KMT2A Q03164 3/20 0.44
▸ GAA P10253 1/20 0.44
▸ ABL1 P00519 1/20 0.43
▸ MEN1 O00255 2/20 0.41
▸ POLB P06746 1/20 0.38
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 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
SCHEMBL18874465 0.85 PGR (0.67) PGRCYP3A4TSHRALDH1A1SMN1; SMN2
SCHEMBL3793590 0.84 CYP3A4 (0.52) PGRCYP3A4TSHRALDH1A1SMN1; SMN2
SCHEMBL15458194 0.81 CYP3A4 (0.48) PGRCYP3A4TSHRALDH1A1SMN1; SMN2
SCHEMBL9239974 0.80 TSHR (0.58) PGRCYP3A4TSHRALDH1A1SMN1; SMN2
SCHEMBL29464185 0.77 PGR (0.41) PGRCYP3A4TSHRALDH1A1MAPK1
SCHEMBL17186902 0.77 CYP3A4 (0.45) PGRCYP3A4TSHRALDH1A1MAPK1
SCHEMBL19057574 0.77 PGR (0.41) PGRCYP3A4TSHRALDH1A1MAPK1
SCHEMBL721823 0.76 TSHR (0.52) CYP3A4TSHRALDH1A1SMN1; SMN2ALOX15
SCHEMBL5119721 0.76 TDP1 (0.52) PGRCYP3A4TSHRALDH1A1SMN1; SMN2
SCHEMBL11790248 0.76 TSHR (0.44) PGRCYP3A4TSHRALDH1A1SMN1; SMN2

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 3 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 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 194/4885CYP3A4 611/4885TSHR 66/4885

“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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