SCHEMBL1280281

SCHEMBL1280281

CN(C)CCSCN(C)CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BHMT Q93088 1/20 0.47
TDP1 Q9NUW8 3/20 0.34
EYA2 O00167 1/20 0.34
APP P05067 1/20 0.34
ACE P12821 1/20 0.34
MVD P53602 1/20 0.34
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRA2A P08913 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
DRD1 P21728 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
CYP2C19 P33261 1/20 0.33
ADRA1A P35348 1/20 0.33
DRD3 P35462 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33

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
SCHEMBL1279809 0.83 BHMT (0.44) BHMTTDP1EYA2APPACE
SCHEMBL1280200 0.80 BHMT (0.44) BHMTTDP1EYA2APPACE
SCHEMBL1280629 0.77 HSD17B10 (0.53) BHMTTDP1ALOX15TSHRBLM
SCHEMBL1280078 0.77 BHMT (0.39) BHMTTDP1EYA2APPACE
SCHEMBL16608921 0.76 HSD17B10 (0.56) TDP1APPALOX15TSHRBLM
SCHEMBL9525485 0.74 CYP2D6 (0.50) BHMTTDP1MVDLMNATSHR
SCHEMBL2000449 0.73 CA12 (0.50) BHMTTDP1EYA2APPACE
SCHEMBL1280303 0.73 BHMT (0.39) BHMTKDM4ECYP2C19HIF1A
Hydrochloric Acid SCHEMBL14157523 0.72 CYP2D6 (0.48) BHMTMVDCYP2C19BLMHIF1A
SCHEMBL10408722 0.72 LMNA (0.64) BHMTTDP1LMNATSHRCYP2C19

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
US-10065992-B2 Cyclosporin analogs ALLERGAN, INC. (US) 2018-09-04 US claimed
EP-2627664-B1 CYCLOSPORIN ANALOGS ALLERGAN INC (US) 2018-04-04 EP claimed
US-20170029469-A1 CYCLOSPORIN ANALOGS ALLERGAN, INC. 2017-02-02 US claimed
US-9493511-B2 Cyclosporin analogs ALLERGAN, INC. (US) 2016-11-15 US claimed
US-20150065433-A1 CYCLOSPORIN ANALOGS ALLERGAN, INC. (US) 2015-03-05 US claimed
EP-2627664-A1 CYCLOSPORIN ANALOGS Allergan, Inc. (US) 2013-08-21 EP claimed
WO-2012051194-A1 CYCLOSPORIN ANALOGS ALLERGAN, INC. (US) 2012-04-19 WO claimed
US-20120088734-A1 Cyclosporin Analogs ALLERGAN, INC. (US) 2012-04-12 US claimed
US-10065992-B2 Cyclosporin analogs ALLERGAN, INC. (US) 2018-09-04 US disclosed
EP-2627664-B1 CYCLOSPORIN ANALOGS ALLERGAN INC (US) 2018-04-04 EP disclosed
US-20170029469-A1 CYCLOSPORIN ANALOGS ALLERGAN, INC. 2017-02-02 US disclosed
US-9493511-B2 Cyclosporin analogs ALLERGAN, INC. (US) 2016-11-15 US disclosed
US-20150065433-A1 CYCLOSPORIN ANALOGS ALLERGAN, INC. (US) 2015-03-05 US disclosed
US-20120088734-A1 Cyclosporin Analogs ALLERGAN, INC. (US) 2012-04-12 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 (4 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-20150065433-A1 CYCLOSPORIN ANALOGS CHP1, TSLP, PPP3R1 BHMT 3906/4885TDP1 2386/4885EYA2 14/4885
US-10065992-B2 Cyclosporin analogs CHP1, TSLP, PPP3R1 BHMT 3906/4885TDP1 2386/4885EYA2 14/4885
US-20120088734-A1 Cyclosporin Analogs CHP1, TSLP, PPP3R1 BHMT 3906/4885TDP1 2386/4885EYA2 14/4885
US-20170029469-A1 CYCLOSPORIN ANALOGS CHP1, TSLP, PPP3R1 BHMT 3906/4885TDP1 2386/4885EYA2 14/4885

“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.