SCHEMBL3149063

SCHEMBL3149063

COCOc1ccc(Cc2c(C)cc(NC(=O)OCc3ccccc3)cc2C)cc1Cc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.46
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
PTGER1 P34995 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.40
OPRK1 P41145 3/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL3158226 0.80 PPARA (0.41) PTGER1ALDH1A1
SCHEMBL3155899 0.80 OPRK1 (0.39) PTGER1OPRK1OPRM1OPRD1ALDH1A1
SCHEMBL3149305 0.79 ATM (0.40) RAB9APTGER1SMN1; SMN2MEN1KMT2A
SCHEMBL3160775 0.79 PTGDR2 (0.37) PTGER1MEN1KMT2APTGDR2OPRK1
SCHEMBL282460 0.79 OPRK1 (0.48) OPRK1OPRM1OPRD1
SCHEMBL3893253 0.78 PTGDR2 (0.37) PTGER1MEN1KMT2APTGDR2OPRK1
SCHEMBL282674 0.78 OPRK1 (0.43) RAB9APTGER1L3MBTL1OPRK1OPRM1
SCHEMBL4349131 0.78 EGFR (0.42) PTGER1OPRK1OPRM1OPRD1CYP1A2
SCHEMBL6858246 0.78 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2AL3MBTL1OPRK1
SCHEMBL4213025 0.77 PTGER1 (0.35) NPC1RAB9APTGER1SMN1; SMN2MEN1

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-20100081634-A1 Novel Phosphorus-Containing Thyromimetics METABASIS THERAPEUTICS, INC. (US) 2010-04-01 US disclosed
US-7514419-B2 Phosphorus-containing thyromimetics METABASIS THERAPEUTICS, INC. (US) 2009-04-07 US disclosed
US-20090028925-A1 Novel Phosphinic Acid-Containing Thyromimetics METABASIS THERAPEUTICS, INC. 2009-01-29 US disclosed
EP-1891080-A2 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS Metabasis Therapeutics, Inc. (US) 2008-02-27 EP disclosed
EP-1890768-A2 NOVEL PHOSPHINIC ACID-CONTAINING THYROMIMETICS Metabasis Therapeutics, Inc. (US) 2008-02-27 EP disclosed
WO-2006128056-A2 NOVEL PHOSPHINIC ACID-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS, INC. (US) 2006-11-30 WO disclosed
WO-2006128055-A2 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS, INC. (US) 2006-11-30 WO disclosed
US-20060046980-A1 Novel phosphorus-containing thyromimetics METABASIS THERAPEUTICS, INC. 2006-03-02 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 (3 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-20100081634-A1 Novel Phosphorus-Containing Thyromimetics PYGL, THRA, THOP1 MGLL 373/4885NPC1 845/4885RAB9A 3397/4885
US-20060046980-A1 Novel phosphorus-containing thyromimetics PYGL, THRA, THOP1 MGLL 373/4885NPC1 845/4885RAB9A 3397/4885
US-20090028925-A1 Novel Phosphinic Acid-Containing Thyromimetics PYGL, PHOSPHO1, LIPE MGLL 176/4885NPC1 897/4885RAB9A 3257/4885

“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.