SCHEMBL1704346

SCHEMBL1704346

CCS(=O)(=O)CC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL4902100 0.86 TSHR (0.31) TSHRTDP1
SCHEMBL1704990 0.79 CES1 (0.36) TSHRTDP1
SCHEMBL14753016 0.75 ALDH1A1 (0.35)
SCHEMBL12424394 0.75 TSHR (0.32) TSHRTDP1
SCHEMBL12424391 0.75 CES1 (0.47)
SCHEMBL12139976 0.73
SCHEMBL12384261 0.73
SCHEMBL14814406 0.73
SCHEMBL24565642 0.71 PTGS1 (0.38)
SCHEMBL21742581 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208985-A2 ANDROGEN RECEPTOR REGULATION BY SMALL MOLECULE ENANTIOMERS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2024-06-27 US disclosed
US-20230133119-A1 ANDROGEN RECEPTOR REGULATION BY SMALL MOLECULE ENANTIOMERS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2023-05-04 US disclosed
US-20200056173-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2020-02-20 US disclosed
US-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2018-01-25 US disclosed
US-9139609-B2 C-4″ position substituted macrolide derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-09-22 US disclosed
US-20140046043-A1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-02-13 US disclosed
US-8492556-B2 2,5-Dioxoimidazolidin-1-yl-3-phenylurea derivatives as formyl peptide receptor like-1 (FPRL-1) receptor modulators ALLERGAN, INC. (US) 2013-07-23 US disclosed
US-20130123215-A1 2,5-DIOXOIMIDAZOLIDIN-1-YL-3-PHENYLUREA DERIVATIVES AS FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-05-16 US disclosed
US-20120136175-A1 PROCESS FOR PREPARATION OF ALKYL SULFONE COMPOUNDS SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2012-05-31 US disclosed
EP-2441751-A1 PROCESS FOR PREPARATION OF ALKYL SULFONE COMPOUNDS Sumitomo Seika Chemicals CO. LTD. (JP) 2012-04-18 EP disclosed
US-7939538-B2 Compounds, compositions and methods for prevention and treatment of inflammatory and immunoregulatory disorders and diseases AMGEN INC. (US) 2011-05-10 US disclosed
US-7601850-B2 less hypercalcemic than 1a,25 dihydroxy vitamin D3; bone disorders, psoriasis ELI LILLY AND COMPANY (US) 2009-10-13 US disclosed
US-7601850-B2 less hypercalcemic than 1a,25 dihydroxy vitamin D3; bone disorders, psoriasis ELI LILLY AND COMPANY (US) 2009-10-13 US disclosed
US-7375102-B2 Tetrahydroquinazolin-4(3H)-one-related and tetrahydropyrido[2,3-D]pyrimidin-4(3H)-one-related compounds, compositions and methods for their use AMGEN SF, LLC (US) 2008-05-20 US disclosed
US-7271271-B2 Imidazolo-related compounds, compositions and methods for their use AMGEN SF, LLC (US) 2007-09-18 US disclosed
EP-1819692-A1 3-ETHYLIDENEHYDRAZINO SUBSTITUTED HETEROCYCLIC COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS Nissan Chemical Industries, Ltd. (JP) 2007-08-22 EP disclosed
WO-2006062240-A1 3-ETHYLIDENEHYDRAZINO SUBSTITUTED HETEROCYCLIC COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2006-06-15 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 (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-20240208985-A2 ANDROGEN RECEPTOR REGULATION BY SMALL MOLECULE ENANTIOMERS AR, SHBG, NR5A1 TSHR 523/4885TDP1 4521/4885
US-20130123215-A1 2,5-DIOXOIMIDAZOLIDIN-1-YL-3-PHENYLUREA DERIVATIVES AS FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS FPR1, FPR2, FPR3 TSHR 478/4885TDP1 3272/4885
US-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF IDO1, IDO2, TDO2 TSHR 2589/4885TDP1 371/4885
US-20230133119-A1 ANDROGEN RECEPTOR REGULATION BY SMALL MOLECULE ENANTIOMERS AR, SHBG, NR5A1 TSHR 530/4885TDP1 4529/4885
US-20140046043-A1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE MRPL21, MRPS34, MRPL37 TSHR 2520/4885TDP1 2075/4885
US-20120136175-A1 PROCESS FOR PREPARATION OF ALKYL SULFONE COMPOUNDS SULT1A1, CBR1, SULT1E1 TSHR 1331/4885TDP1 3559/4885

“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.