SCHEMBL4846558

SCHEMBL4846558

N#Cc1cccc(-c2ccc3c4c2CCCC4OC(=O)N3)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 7/20 0.43
▸ CHEK1 O14757 2/20 0.41
▸ CREBBP Q92793 1/20 0.41
▸ UCHL1 P09936 1/20 0.38
▸ USP30 Q70CQ3 1/20 0.38
▸ GPR84 Q9NQS5 1/20 0.38
▸ WEE1 P30291 1/20 0.36
▸ LRRK2 Q5S007 5/20 0.36
▸ PRF1 P14222 1/20 0.36
▸ PRKCQ Q04759 1/20 0.36
▸ MAP4K1 Q92918 1/20 0.36
▸ CETP P11597 1/20 0.35

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
SCHEMBL5126253 0.76 PGR (0.43) PGRCHEK1CREBBPLRRK2PRF1
SCHEMBL5111338 0.72 PGR (0.45) PGRCHEK1CREBBPLRRK2PRF1
SCHEMBL4845544 0.70 IL1RN (0.33) —
SCHEMBL5126205 0.69 FADS1 (0.43) PGRCHEK1CREBBPCETP
SCHEMBL5114490 0.67 PGR (0.38) PGRCHEK1CREBBP
SCHEMBL5112199 0.65 PGR (0.65) PGRCHEK1CREBBP
SCHEMBL5126385 0.65 PGR (0.44) PGRCHEK1CREBBPLRRK2PRKCQ
SCHEMBL3870155 0.62 PGR (0.76) PGRCHEK1
SCHEMBL2527868 0.61 CLK4 (0.49) PGRCHEK1CREBBPLRRK2PRF1
SCHEMBL3310037 0.61 CYP11B1 (0.58) PGRCHEK1CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435733-B2 Mineralocorticoid receptor modulator compounds and methods, and pharmaceutical compositions containing these compounds LIGAND PHARMACEUTICALS, INC. (US) 2008-10-14 — — US claimed
US-20070185102-A1 MINERALOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS LIGAND PHARMACEUTICALS, INC. 2007-08-09 — — US claimed
US-7435733-B2 Mineralocorticoid receptor modulator compounds and methods, and pharmaceutical compositions containing these compounds LIGAND PHARMACEUTICALS, INC. (US) 2008-10-14 — — US disclosed
US-20070185102-A1 MINERALOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS LIGAND PHARMACEUTICALS, INC. 2007-08-09 — — 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-20070185102-A1 MINERALOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS NR3C2, MC2R, NR3C1 PGR 176/4885CHEK1 4457/4885CREBBP 387/4885

“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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