Sugi Predict

Sugi Predict / Compounds / SCHEMBL282017

SCHEMBL282017

SCHEMBL282017

COc1ccc(Oc2c(C)cc(N)cc2C)cc1C(C)C

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 9/20 0.53
▸ RORC P51449 4/20 0.53
▸ POLB P06746 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ GFER P55789 1/20 0.46
▸ THRA P10827 6/20 0.46
▸ P2RX3 P56373 1/20 0.44
▸ P2RX2 Q9UBL9 1/20 0.44
▸ CYP2D6 P10635 2/20 0.43
▸ ADRA2A P08913 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
Hydrochloric Acid SCHEMBL8800518 0.99 THRB (0.52) THRBRORCPOLBGAAGFER
SCHEMBL8893247 0.85 THRB (0.57) THRBRORCPOLBGAAGFER
SCHEMBL282179 0.85 THRB (0.56) THRBRORCTHRA
SCHEMBL282532 0.85 THRB (0.50) THRBRORCTHRACYP2D6
SCHEMBL6818059 0.84 RORC (0.70) THRBRORCTHRAP2RX3P2RX2
SCHEMBL282127 0.83 THRB (0.57) THRBRORCPOLBGAAGFER
SCHEMBL8800898 0.83 THRB (0.51) THRBRORCTHRACYP2D6
SCHEMBL7041799 0.82 THRB (0.50) THRBRORCTHRACYP2D6
SCHEMBL282819 0.82 THRB (0.74) THRBRORCTHRA
SCHEMBL282394 0.82 THRB (0.50) THRBRORCTHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689383-B1 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS INC (US) 2012-10-31 — — EP disclosed
EP-2428516-A1 Novel phosphorus-containing thyromimetics Metabasis Therapeutics, Inc. (US) 2012-03-14 — — EP disclosed
US-7829552-B2 Phosphorus-containing thyromimetics METABASIS THERAPEUTICS, INC. (US) 2010-11-09 — — US disclosed
US-20100081634-A1 Novel Phosphorus-Containing Thyromimetics METABASIS THERAPEUTICS, INC. (US) 2010-04-01 — — US disclosed
US-20090118236-A1 Novel Phosphorus-Containing Thyromimetics CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2009-05-07 — — 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
US-20060046980-A1 Novel phosphorus-containing thyromimetics METABASIS THERAPEUTICS, INC. 2006-03-02 — — US disclosed
US-20030040535-A1 Tetrazole compounds as thyroid receptor ligands ASPNES GARY E (US) 2003-02-27 — — US disclosed
US-6441015-B2 OBESITY, ANTIDIABETIC AGENTS, CARDIOVASCULAR DISORDERS PFIZER INC. 2002-08-27 — — US disclosed
EP-1183074-A1 SUBSTITUTED BIARYL ETHER COMPOUNDS UNIVERSITY OF TEXAS SOUTHWESTERN MEDICAL CENTER (US) 2002-03-06 — — EP disclosed
US-20020006946-A1 Tetrazole compounds as thyroid receptor ligands PFIZER INC. 2002-01-17 — — US disclosed
EP-1127882-A1 Tetrazole compounds as thyroid receptor ligands Pfizer Products Inc. (US) 2001-08-29 — — EP disclosed
WO-2000072920-A1 SUBSTITUTED BIARYL ETHER COMPOUNDS THE UNIVERSITY OF TEXAS SOUTHWESTERN MEDICAL CENTER (US) 2000-12-07 — — WO disclosed
EP-0580550-B1 Oxamic acid derivatives as hypocholesteremic agents CIBA GEIGY AG (CH) 1997-10-22 — — EP disclosed
US-5654468-A ANTILIPID, ANTICHOLESTEROL AGENTS CIBA-GEIGY CORPORATION (US) 1997-08-05 — — US disclosed
US-5569674-A ANTICHOLESTEROL AGENTS CIBA-GEIGY CORPORATION (US) 1996-10-29 — — US disclosed
US-5401772-A Anticholesterol agents with aromatic amines CIBA-GEIGY CORPORATION (US) 1995-03-28 — — US disclosed
EP-0580550-A1 Oxamic acid derivatives as hypocholesteremic agents CIBA-GEIGY AG (CH) 1994-01-26 — — EP 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 (6 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 THRB 6/4885RORC 648/4885POLB 3808/4885
US-20060046980-A1 Novel phosphorus-containing thyromimetics PYGL, THRA, THOP1 THRB 6/4885RORC 648/4885POLB 3808/4885
US-20090118236-A1 Novel Phosphorus-Containing Thyromimetics THRA, PYGL, THRB THRB 3/4885RORC 656/4885POLB 3605/4885
US-20030040535-A1 Tetrazole compounds as thyroid receptor ligands THRA, TSHR, THRB THRB 3/4885RORC 408/4885POLB 4337/4885
US-20020006946-A1 Tetrazole compounds as thyroid receptor ligands TSHR, THRA, THRB THRB 3/4885RORC 347/4885POLB 4198/4885
US-20090028925-A1 Novel Phosphinic Acid-Containing Thyromimetics PYGL, PHOSPHO1, LIPE THRB 41/4885RORC 781/4885POLB 4230/4885

“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.