SCHEMBL9915044

SCHEMBL9915044

CCCC(=O)N(C)CC(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CA12 O43570 3/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA1 P00915 1/20 0.41
ALDH1A1 P00352 2/20 0.39
KDM5A P29375 2/20 0.39
POLB P06746 1/20 0.38
POLA1 P09884 1/20 0.38
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
MGAM O43451 2/20 0.34
GAA P10253 2/20 0.34
SI P14410 2/20 0.34
MGAM2 Q2M2H8 2/20 0.34
HSD17B10 Q99714 1/20 0.34
CA14 Q9ULX7 2/20 0.34
CES2 O00748 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
SCHEMBL31591165 0.86 KDM5A (0.54) TSHRCA12CA2CA9ALDH1A1
SCHEMBL31307036 0.85 KDM5A (0.55) CA12CA2CA9ALDH1A1KDM5A
SCHEMBL2840377 0.83 CA12 (0.60) MEN1KMT2ACA12CA2CA9
SCHEMBL17629535 0.82 CA12 (0.50) TSHRMEN1KMT2ACA12CA2
SCHEMBL23135461 0.82 TSHR (0.41) TSHRMEN1KMT2ACA12CA2
SCHEMBL4589551 0.82 TSHR (0.43) TSHRMEN1KMT2ACA12CA2
SCHEMBL31248840 0.77 MEN1 (0.37) TSHRMEN1KMT2ACA12CA2
SCHEMBL19821450 0.77 ALDH1A1 (0.43) TSHRMEN1KMT2ACA12CA2
SCHEMBL14902242 0.77 MGAM (0.52) TSHRMEN1KMT2ACA12CA2
SCHEMBL8990009 0.77 CA12 (0.42) TSHRMEN1KMT2ACA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170101445-A1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION S&T GLOBAL INC. 2017-04-13 US disclosed
EP-2646043-B1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION S&T GLOBAL INC (US) 2017-02-15 EP disclosed
US-20160052972-A1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION S&T GLOBAL INC. 2016-02-25 US disclosed
US-20160039879-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2016-02-11 US disclosed
US-9217015-B2 Cyclosporin derivatives for the treatment and prevention of a viral infection S&T GLOBAL INC. (US) 2015-12-22 US disclosed
US-20130303438-A1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION S&T GLOBAL INC. 2013-11-14 US disclosed
US-20130210704-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2013-08-15 US disclosed
WO-2012075494-A1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION S&T GLOBAL INC. (US) 2012-06-07 WO disclosed
WO-2012021796-A2 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION S&T GLOBAL, INC. (US) 2012-02-16 WO disclosed
WO-2012009715-A2 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION S&T GLOBAL INC. (US) 2012-01-19 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-20160052972-A1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION HAVCR2, TSLP, ICOS TSHR 4841/4885MEN1 1616/4885KMT2A 4220/4885
US-20130210704-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF FKBP1B, MALT1, FKBP5 TSHR 4131/4885MEN1 786/4885KMT2A 4495/4885
US-20130303438-A1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION HAVCR2, TSLP, ICOS TSHR 4841/4885MEN1 1616/4885KMT2A 4220/4885
US-20160039879-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF FKBP1B, MALT1, FKBP5 TSHR 4131/4885MEN1 786/4885KMT2A 4495/4885
US-20170101445-A1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION HAVCR2, TSLP, HLA-DRB1 TSHR 4812/4885MEN1 2078/4885KMT2A 4455/4885

“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.