SCHEMBL420845

SCHEMBL420845

CC(C)(C)C[C@H](O)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53

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
SCHEMBL421719 1.00 TSHR (0.53) TSHR
SCHEMBL13389339 1.00 TSHR (0.53) TSHR
SCHEMBL21940349 0.84 TSHR (0.40) TSHR
SCHEMBL21686799 0.78 TSHR (0.50) TSHR
SCHEMBL10153111 0.78 TSHR (0.36) TSHR
SCHEMBL15699006 0.75 CETP (0.46) TSHR
SCHEMBL9944456 0.75 CETP (0.46) TSHR
SCHEMBL19291928 0.75 TSHR (0.48) TSHR
SCHEMBL11990041 0.75 CETP (0.46) TSHR
SCHEMBL19576139 0.75 TSHR (0.35) TSHR

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9969767-B2 Oxolupene derivatives VIIV Healthcare UK (No.5) Limited (GB) 2018-05-15 US disclosed
US-9914747-B2 Extended betulinic acid analogs VIIV Healthcare UK (No.5) Limited (GB) 2018-03-13 US disclosed
US-20170334945-A1 EXTENDED BETULINIC ACID ANALOGS BRISTOL-MYERS SQUIBB COMPANY 2017-11-23 US disclosed
US-20170334946-A1 OXOLUPENE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2017-11-23 US disclosed
US-20170266326-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2017-09-21 US disclosed
US-9550000-B2 Compositions, methods, and systems for the synthesis and use of imaging agents LANTHEUS MEDICAL IMAGING, INC. (US) 2017-01-24 US disclosed
US-20160058874-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2016-03-03 US disclosed
US-20150141638-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY CERULEAN PHARMA INC. (US) 2015-05-21 US disclosed
US-20150005230-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2015-01-01 US disclosed
US-20140328756-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2014-11-06 US disclosed
US-20130096293-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY CERULEAN PHARMA INC. (US) 2013-04-18 US disclosed
US-20130059816-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE CERULEAN PHARMA INC. (US) 2013-03-07 US disclosed
US-20130059816-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE CERULEAN PHARMA INC. (US) 2013-03-07 US disclosed
US-20120213854-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS CERULEAN PHARMA INC. 2012-08-23 US disclosed
US-20120064107-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE CERULEAN PHARMA INC. (US) 2012-03-15 US disclosed
US-20120065161-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2012-03-15 US disclosed
US-20110152512-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY CERULEAN PHARMA INC. 2011-06-23 US disclosed
US-20110152512-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY CERULEAN PHARMA INC. 2011-06-23 US disclosed
US-20100285144-A1 POLYMER-EPOTHILONE CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CERULEAN PHARMA INC. 2010-11-11 US disclosed
US-20100093723-A1 HETEROCYCLYL AND CYCLOALKYL SUBSTITUTED THIENO[2,3 d]PYRIMIDINE AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-15 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 (14 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-20170334946-A1 OXOLUPENE DERIVATIVES BET1, CYP51A1, PGGT1B TSHR 4821/4885
US-20130096293-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY DDOST, STT3B, STT3A TSHR 3166/4885
US-20170266326-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 TSHR 3677/4885
US-20120065161-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY DDOST, SDCBP, STT3B TSHR 3527/4885
US-20140328756-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 TSHR 3677/4885
US-20100093723-A1 HETEROCYCLYL AND CYCLOALKYL SUBSTITUTED THIENO[2,3 d]PYRIMIDINE AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS ADORA2A, ADORA3, ADORA2B TSHR 143/4885
US-20120064107-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE PHOSPHO1, SGMS1, SGMS2 TSHR 2636/4885
US-20130059816-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE PHOSPHO1, SGMS1, SGMS2 TSHR 2636/4885
US-20150141638-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY DDOST, STT3B, STT3A TSHR 3166/4885
US-20170334945-A1 EXTENDED BETULINIC ACID ANALOGS BET1, TMPO, PGGT1B TSHR 4744/4885
US-20120213854-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS HLA-DRB1, TSG101, IAPP TSHR 3573/4885
US-20150005230-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CDR2, DDOST, GALC TSHR 3583/4885
US-20160058874-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CDR2, DDOST, GALC TSHR 3583/4885
US-20100285144-A1 POLYMER-EPOTHILONE CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE EPOR, TTPA, PDS5A TSHR 2763/4885

“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.