SCHEMBL716942

SCHEMBL716942

CC(C)OC(=O)CCC#N

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
TSHR P16473 5/20 0.37
MAPT P10636 4/20 0.37
HTT P42858 1/20 0.34
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 1/20 0.34
RAB9A P51151 1/20 0.34
ACACB O00763 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 2/20 0.33
ALOX15 P16050 1/20 0.33
NOTUM Q6P988 1/20 0.33
CYP2D6 P10635 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL11761304 0.88 LMNA (0.60) LMNATSHRMAPTALDH1A1HSD17B10
SCHEMBL10012267 0.83 LMNA (0.42) LMNATSHRMAPTHTTALDH1A1
SCHEMBL14037570 0.78 LMNA (0.48) LMNATSHRMAPTHTTALDH1A1
SCHEMBL72471 0.78 LMNA (0.62) LMNATSHRMAPTHTTALDH1A1
SCHEMBL1170737 0.77
SCHEMBL31402602 0.76 LMNA (0.60) LMNATSHRMAPTHTTALDH1A1
SCHEMBL6748118 0.76 LMNA (0.41) LMNATSHRMAPTALDH1A1KDM4E
SCHEMBL10012660 0.75 TSHR (0.40) LMNATSHRACACBMEN1KMT2A
SCHEMBL26454522 0.75 TSHR (0.39) LMNATSHRMAPTALDH1A1KDM4E
SCHEMBL1050327 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106458941-B Use the manufacturing method of the isothiazole compounds of ether compound 组合化学工业株式会社 2019-08-30 CN disclosed
EP-3333173-B1 METHODS FOR PREPARING ANTI-VIRAL NUCLEOTIDE ANALOGS GILEAD SCIENCES INC (US) 2019-06-26 EP disclosed
EP-3127902-B1 METHOD FOR PRODUCING ISOTHIAZOLE COMPOUND USING ETHER COMPOUND KUMIAI CHEMICAL INDUSTRY CO (JP) 2018-11-07 EP disclosed
EP-3333173-A1 METHODS FOR PREPARING ANTI-VIRAL NUCLEOTIDE ANALOGS Gilead Sciences, Inc. (US) 2018-06-13 EP disclosed
EP-2764002-B1 METHODS FOR PREPARING ANTI-VIRAL NUCLEOTIDE ANALOGS GILEAD SCIENCES INC (US) 2018-02-28 EP disclosed
US-9676804-B2 Methods for preparing anti-viral nucleotide analogs GILEAD SCIENCES, INC. (US) 2017-06-13 US disclosed
US-20170056423-A1 COMBINATION THERAPY COMPRISING TENOFOVIR ALAFENAMIDE HEMIFUMARATE AND COBICISTAT FOR USE IN THE TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2017-03-02 US disclosed
CN-106458941-A Method for producing isothiazole compound using ether compound 庵原化学工业株式会社 2017-02-22 CN disclosed
EP-3127902-A1 METHOD FOR PRODUCING ISOTHIAZOLE COMPOUND USING ETHER COMPOUND Ihara Chemical Industry Co., Ltd. (JP) 2017-02-08 EP disclosed
US-20160311840-A1 METHODS FOR PREPARING ANTI-VIRAL NUCLEOTIDE ANALOGS GILEAD SCIENCES, INC. 2016-10-27 US disclosed
WO-2013116730-A1 COMBINATION THERAPY COMPRISING TENOFOVIR ALAFENAMIDE HEMIFUMARATE AND COBICISTAT FOR USE IN THE TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2013-08-08 WO disclosed
US-20130090473-A1 Methods for preparing anti-viral nucleotide analogs GILEAD SCIENCES, INC. 2013-04-11 US disclosed
WO-2013052094-A2 METHODS FOR PREPARING ANTI-VIRAL NUCLEOTIDE ANALOGS GILEAD SCIENCES, INC. (US) 2013-04-11 WO disclosed
US-20120053350-A1 PREPARATION OF ALKYL ESTERS OF N-PROTECTED OXO-AZACYCLOALKYLCARBOXYLIC ACIDS MERCK SHARP & DOHME CORP. 2012-03-01 US disclosed
WO-2010126820-A2 PREPARATION OF ALKYL ESTERS OF N-PROTECTED OXO-AZACYCLOALKYLCARBOXYLIC ACIDS MERCK SHARP & DOHME CORP. (US) 2010-11-04 WO disclosed
EP-1626950-A4 SERTRALINE COMPOSITIONS TRANSFORM PHARMACEUTICALS INC (US) 2007-05-23 EP disclosed
US-7186863-B2 Sertraline compositions TRANSFORM PHARMACEUTICALS, INC. (US) 2007-03-06 US disclosed
EP-1626950-A1 SERTRALINE COMPOSITIONS Transform Pharmaceuticals, Inc. (US) 2006-02-22 EP disclosed
US-20050014829-A1 Sertraline compositions TRANSFORM PHARMACEUTICALS, INC. 2005-01-20 US disclosed
WO-2005000786-A1 SERTRALINE COMPOSITIONS TRANSFORM PHARMACEUTICALS, INC. (US) 2005-01-06 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-20050014829-A1 Sertraline compositions SUCNR1, TST, SORD LMNA 2403/4885TSHR 96/4885MAPT 294/4885
US-20160311840-A1 METHODS FOR PREPARING ANTI-VIRAL NUCLEOTIDE ANALOGS MTAP, PNP, ADAR LMNA 312/4885TSHR 4721/4885MAPT 4594/4885
US-20120053350-A1 PREPARATION OF ALKYL ESTERS OF N-PROTECTED OXO-AZACYCLOALKYLCARBOXYLIC ACIDS SULT1A1, SULT1E1, PGD LMNA 1743/4885TSHR 3444/4885MAPT 4875/4885
US-20130090473-A1 Methods for preparing anti-viral nucleotide analogs MTAP, ADAR, PNP LMNA 323/4885TSHR 4671/4885MAPT 4640/4885
US-20170056423-A1 COMBINATION THERAPY COMPRISING TENOFOVIR ALAFENAMIDE HEMIFUMARATE AND COBICISTAT FOR USE IN THE TREATMENT OF VIRAL INFECTIONS MTAP, PAICS, GART LMNA 3262/4885TSHR 4483/4885MAPT 4541/4885

“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.