SCHEMBL1709990

SCHEMBL1709990

CCCC[C@@H](C)[C@@H](O)CC(N)=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.44
CA1 P00915 3/20 0.44
SPHK1 Q9NYA1 1/20 0.39
SLC15A1 P46059 1/20 0.38
GPR84 Q9NQS5 7/20 0.37
MAPK1 P28482 1/20 0.36
FFAR1 O14842 1/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
EPHX1 P07099 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
SCHEMBL17518370 0.82 TRPV1 (0.34) SPHK1
SCHEMBL4744405 0.82 GPR84 (0.52) CA2GPR84MAPK1FFAR1
SCHEMBL667414 0.82 GPR84 (0.52) CA2GPR84MAPK1FFAR1
SCHEMBL17518256 0.81 GABRP (0.41) FFAR1
SCHEMBL17920247 0.79 GABRR1 (0.41)
SCHEMBL17518366 0.79 GABRP (0.32)
SCHEMBL15810294 0.78 ECE1 (0.33)
SCHEMBL17524660 0.78 ALDH1A1 (0.33)
SCHEMBL17518381 0.78 LMNA (0.48)
SCHEMBL17524656 0.78 SIGMAR1 (0.36) SPHK1GPR84

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
WO-2019016572-A1 CYCLOSPORIN ANALOGUES AND USES THEREOF CYPRALIS LTD (GB) 2019-01-24 WO disclosed
US-20170101445-A1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION S&T GLOBAL INC. 2017-04-13 US 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-20160039879-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2016-02-11 US disclosed
US-20150065433-A1 CYCLOSPORIN ANALOGS ALLERGAN, INC. (US) 2015-03-05 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
US-20120088734-A1 Cyclosporin Analogs ALLERGAN, INC. (US) 2012-04-12 US 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

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-20150065433-A1 CYCLOSPORIN ANALOGS CHP1, TSLP, PPP3R1 CA2 2370/4885CA1 4455/4885SPHK1 273/4885
US-20120088734-A1 Cyclosporin Analogs CHP1, TSLP, PPP3R1 CA2 2370/4885CA1 4455/4885SPHK1 273/4885
US-20170029469-A1 CYCLOSPORIN ANALOGS CHP1, TSLP, PPP3R1 CA2 2370/4885CA1 4455/4885SPHK1 273/4885
US-20130210704-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF FKBP1B, MALT1, FKBP5 CA2 1053/4885CA1 4107/4885SPHK1 660/4885
US-20160039879-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF FKBP1B, MALT1, FKBP5 CA2 1053/4885CA1 4107/4885SPHK1 660/4885
US-20170101445-A1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION HAVCR2, TSLP, HLA-DRB1 CA2 1103/4885CA1 2992/4885SPHK1 1370/4885

“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.