Sugi Predict

Sugi Predict / Compounds / SCHEMBL3740322

SCHEMBL3740322

SCHEMBL3740322

CCN(CC)c1ccc(N(CCC2CCCCC2)C(=O)Nc2cc(OC)cc(C(C)(C)C)c2O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ LMNA P02545 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ HTT P42858 1/20 0.37
▸ PPARA Q07869 3/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ MMP3 P08254 1/20 0.36
▸ ACHE P22303 1/20 0.35
▸ CNR2 P34972 3/20 0.35
▸ CNR1 P21554 2/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ KLK7 P49862 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 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
SCHEMBL281995 0.91 NPC1 (0.39) RAB9ANPC1LMNAMAPTHTT
Hydrochloric Acid SCHEMBL6245752 0.90 NPC1 (0.39) RAB9ANPC1LMNAMAPTHTT
SCHEMBL8799426 0.90 ACHE (0.42) RAB9ANPC1PPARAEPHX2MMP3
SCHEMBL8798797 0.78 NPC1 (0.36) RAB9ANPC1MAPTHTTPPARA
Hydrochloric Acid SCHEMBL9068017 0.75 ACHE (0.38) RAB9ANPC1PPARAMMP3ACHE
SCHEMBL8797853 0.75 CA1 (0.39) RAB9ANPC1MAPTHTTCA1
SCHEMBL8799725 0.75 ACHE (0.37) RAB9ANPC1PPARAACHEKLK7
SCHEMBL8798236 0.74 MEN1 (0.36) NPC1LMNAMAPTPPARACA1
Hydrochloric Acid SCHEMBL8797755 0.73 CA1 (0.37) RAB9ANPC1MAPTHTTCA1
SCHEMBL8800137 0.73 MCHR1 (0.39) RAB9ANPC1MAPTHTTEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10420781-B2 Thyroid hormone receptor agonist and use thereof METABASIS THERAPEUTICS INC. (US) 2019-09-24 — — US disclosed
US-20180344752-A1 THYROID HORMONE RECEPTOR AGONIST AND USE THEREOF METABASIS THERAPEUTICS INC. 2018-12-06 — — US disclosed
US-20170319604-A1 THYROID HORMONE RECEPTOR AGONIST AND USE THEREOF METABASIS THERAPEUTICS, INC. 2017-11-09 — — US disclosed
WO-2017184811-A1 THYROID HORMONE RECEPTOR AGONIST AND USE THEREOF METABASIS THERAPEUTICS, INC. (US) 2017-10-26 — — WO disclosed
US-7829552-B2 Phosphorus-containing thyromimetics METABASIS THERAPEUTICS, INC. (US) 2010-11-09 — — US disclosed
US-20090118236-A1 Novel Phosphorus-Containing Thyromimetics CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2009-05-07 — — 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 (4 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-10420781-B2 Thyroid hormone receptor agonist and use thereof THRB, THRA, TSHR RAB9A 1188/4885NPC1 416/4885LMNA 3821/4885
US-20090118236-A1 Novel Phosphorus-Containing Thyromimetics THRA, PYGL, THRB RAB9A 3208/4885NPC1 752/4885LMNA 4127/4885
US-20180344752-A1 THYROID HORMONE RECEPTOR AGONIST AND USE THEREOF THRB, THRA, TSHR RAB9A 1188/4885NPC1 416/4885LMNA 3821/4885
US-20170319604-A1 THYROID HORMONE RECEPTOR AGONIST AND USE THEREOF THRB, THRA, TSHR RAB9A 1188/4885NPC1 416/4885LMNA 3821/4885

“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.