SCHEMBL4155173

SCHEMBL4155173

[Li]Cc1ccccc1C(=O)N(CC)CC

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
KEAP1 Q14145 1/20 0.50
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.47
HPGD P15428 3/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HCRTR1 O43613 5/20 0.44
HCRTR2 O43614 5/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
ABCC1 P33527 1/20 0.43
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL6647138 0.87 TP53 (0.55) TP53KEAP1TSHRMAPK1HPGD
SCHEMBL1097237 0.84 TP53 (0.52) TP53KEAP1TSHRMAPK1HPGD
SCHEMBL29822323 0.82 TP53 (0.69) TP53KEAP1TSHRMAPK1HPGD
SCHEMBL610480 0.82 TP53 (0.69) TP53KEAP1TSHRMAPK1HPGD
SCHEMBL7287054 0.82 HCRTR1 (0.60) TP53KEAP1TSHRMAPK1HPGD
SCHEMBL8688316 0.82 TP53 (0.50) TP53KEAP1TSHRMAPK1HPGD
SCHEMBL6772801 0.82 TP53 (0.50) TP53KEAP1TSHRMAPK1HPGD
SCHEMBL14919390 0.81 KEAP1 (0.49) TP53KEAP1TSHRMAPK1HPGD
SCHEMBL17914153 0.79 TSHR (0.60) TP53KEAP1TSHRMAPK1HPGD
SCHEMBL27351730 0.79 KEAP1 (0.48) TP53KEAP1TSHRMAPK1HPGD

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-20090105292-A9 Glucocorticoid Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-04-23 US disclosed
US-20070281959-A1 Glucocorticoid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-12-06 US disclosed
EP-1718653-A1 GLUCOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS- UTILITY Ligand Pharmaceuticals Inc. (US) 2006-11-08 EP disclosed
WO-2005082909-A1 GLUCOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS- UTILITY LIGAND PHARMACEUTICALS INCORPORATED (US) 2005-09-09 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 (2 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-20090105292-A9 Glucocorticoid Receptor Modulator Compounds and Methods NR3C1, NR3C2, MC2R TP53 4406/4885KEAP1 2369/4885TSHR 244/4885
US-20070281959-A1 Glucocorticoid receptor modulator compounds and methods NR3C1, NR3C2, MC2R TP53 4406/4885KEAP1 2369/4885TSHR 244/4885

“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.