SCHEMBL282553

SCHEMBL282553

COc1ccc(S)cc1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
CYP2D6 P10635 2/20 0.42
THRB P10828 1/20 0.41
RORC P51449 1/20 0.41
ADRA2A P08913 2/20 0.40
ADRA1A P35348 2/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL18977512 0.79 POLB (0.43) POLBGAAGFERALDH1A1TSHR
SCHEMBL10238859 0.77 ACHE (0.58) POLBGAAGFERALDH1A1TSHR
SCHEMBL29591727 0.77 ACHE (0.58) POLBGAAGFERALDH1A1TSHR
SCHEMBL739698 0.77 HDAC4 (0.48) POLBGAAGFERALDH1A1TSHR
SCHEMBL487152 0.77 CYP2D6 (0.67) GAAALDH1A1CYP2D6THRBRORC
SCHEMBL23901711 0.76 ALDH1A1 (0.41) POLBGAAALDH1A1MEN1KMT2A
SCHEMBL3917312 0.75 LPAR1 (0.49) POLBGAAGFERALDH1A1TSHR
SCHEMBL84489 0.75 LPAR1 (0.50) POLBGAAGFERALDH1A1TSHR
SCHEMBL6774835 0.75 GABRA1 (0.43) POLBGAAGFERALDH1A1TSHR
SCHEMBL2973838 0.75 GAA (0.52) POLBGAAGFERALDH1A1TSHR

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 14 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-6747048-B2 TREATING DISEASES OR DISORDERS ASSOCIATED WITH METABOLISM DYSFUNCTION OR WHICH ARE DEPENDENT UPON THE EXPRESSION OF A T3 REGULATED GENE, BRISTOL-MYERS SQUIBB COMPANY 2004-06-08 US disclosed
US-6723717-B1 CARDIAC-SPARING; SIDE EFFECT REDUCTION THE UNIVERSITY OF TEXAS SOUTHWESTERN MEDICAL CENTER 2004-04-20 US disclosed
US-20040039028-A1 Pyridine-based thyroid receptor ligands BRISTOL-MYERS SQUIBB COMPANY 2004-02-26 US disclosed
WO-2003094845-A2 PYRIDINE-BASED THYROID RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-11-20 WO disclosed
EP-1194405-A1 SULFUR-CONTAINING THYROXANE DERIVATIVES AND THEIR USE AS HAIR GROWTH PROMOTORS UNIVERSITY OF TEXAS SOUTHWESTERN MEDICAL CENTER (US) 2002-04-10 EP disclosed
WO-2000073265-A1 SULFUR-CONTAINING THYROXANE DERIVATIVES AND THEIR USE AS HAIR GROWTH PROMOTORS THE UNIVERSITY OF TEXAS SOUTHWESTERN MEDICAL CENTRE (US) 2000-12-07 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 (5 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-20040039028-A1 Pyridine-based thyroid receptor ligands TSHR, THRB, THRA POLB 3561/4885GAA 4733/4885GFER 314/4885
US-20100081634-A1 Novel Phosphorus-Containing Thyromimetics PYGL, THRA, THOP1 POLB 3808/4885GAA 1374/4885GFER 3602/4885
US-20060046980-A1 Novel phosphorus-containing thyromimetics PYGL, THRA, THOP1 POLB 3808/4885GAA 1374/4885GFER 3602/4885
US-20090118236-A1 Novel Phosphorus-Containing Thyromimetics THRA, PYGL, THRB POLB 3605/4885GAA 1733/4885GFER 3032/4885
US-20090028925-A1 Novel Phosphinic Acid-Containing Thyromimetics PYGL, PHOSPHO1, LIPE POLB 4230/4885GAA 1345/4885GFER 3121/4885

“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.