SCHEMBL8557839

SCHEMBL8557839

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

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.36
GRIK2 Q13002 2/20 0.36
CTSK P43235 2/20 0.32
DPP4 P27487 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30

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
SCHEMBL10280948 0.81 GRIK1 (0.38) GRIK1GRIK2CTSKDPP4DPP8
SCHEMBL19779250 0.76
SCHEMBL18515369 0.76
SCHEMBL18949541 0.76
SCHEMBL13711357 0.73
SCHEMBL13939159 0.73 GRIK1 (0.31) GRIK1GRIK2CTSK
SCHEMBL13939155 0.73 GRIK1 (0.33) GRIK1GRIK2
SCHEMBL6722344 0.71
SCHEMBL27363123 0.71 TDP1 (0.33)
SCHEMBL11318678 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013028615-A2 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS S&T GOLBAL INC. (US) 2013-02-28 WO disclosed
US-20120129789-A1 COMPOSITIONS AND METHODS FOR HAIR GROWTH YOELIN STEVEN (US) 2012-05-24 US disclosed
US-20110092443-A1 CYCLOSPORINE COMPOSITIONS FOR ENHANCING NAIL GROWTH ALLERGAN, INC. (US) 2011-04-21 US disclosed
US-7902155-B2 For treatment of mucin deficiency (dry mouth syndrome, achlorhydria, mucous cysts, oral submucous fibrosis, oral nevi, oral mucosa cancer, maloplakia of the genito-urinary tract, vulvovaginitis, helicobacter plylori infection, ulcers, peptic ulcers, conditions affecting the uterus and appendicitis) ALLERGAN, INC. (US) 2011-03-08 US disclosed
US-20100317595-A1 COMPOSITIONS FOR ENHANCING NAIL GROWTH ALLERGAN, INC. (US) 2010-12-16 US disclosed
US-20100279951-A1 METHOD OF TREATING ALLERGIC CONJUNCTIVITIS WITH CYCLOSPORIN COMPOSITIONS SAINT REGIS MOHAWK TRIBE 2010-11-04 US disclosed
US-20100144609-A1 METHODS USING CYCLOSPORIN IN TREATING PATIENTS WITH INTRAOCULAR LENSES DONNENFELD ERIC D 2010-06-10 US disclosed
US-7655625-B2 Methods of treating blepharospasm using cyclosporine components ALLERGAN, INC. (US) 2010-02-02 US disclosed
US-20090298753-A1 METHODS FOR THE THERAPEUTIC USE OF CYCLOSPORINE COMPONENTS ALLERGAN, INC. 2009-12-03 US disclosed
US-7368426-B2 Methods for the therapeutic use of cyclosporine components ALLERGAN, INC. (US) 2008-05-06 US disclosed
US-20080076707-A1 Methods for the therapeutic use of cyclosporine components ALLERGAN, INC. (US) 2008-03-27 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 (7 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-20080076707-A1 Methods for the therapeutic use of cyclosporine components MALT1, FKBP5, FKBP1A GRIK1 1852/4885GRIK2 2106/4885CTSK 803/4885
US-20110092443-A1 CYCLOSPORINE COMPOSITIONS FOR ENHANCING NAIL GROWTH PIK3C3, NACA, TYR GRIK1 4819/4885GRIK2 4855/4885CTSK 99/4885
US-20100144609-A1 METHODS USING CYCLOSPORIN IN TREATING PATIENTS WITH INTRAOCULAR LENSES CRYAB, FKBP3, FKBP2 GRIK1 4507/4885GRIK2 4476/4885CTSK 602/4885
US-20100279951-A1 METHOD OF TREATING ALLERGIC CONJUNCTIVITIS WITH CYCLOSPORIN COMPOSITIONS TSLP, CHP1, MALT1 GRIK1 2978/4885GRIK2 3015/4885CTSK 93/4885
US-20120129789-A1 COMPOSITIONS AND METHODS FOR HAIR GROWTH CYP21A2, CYP2A7, PPP3R1 GRIK1 4489/4885GRIK2 4442/4885CTSK 1801/4885
US-20100317595-A1 COMPOSITIONS FOR ENHANCING NAIL GROWTH TYR, NACA, PIK3C3 GRIK1 3556/4885GRIK2 4054/4885CTSK 169/4885
US-20090298753-A1 METHODS FOR THE THERAPEUTIC USE OF CYCLOSPORINE COMPONENTS MALT1, FKBP3, FKBP5 GRIK1 1728/4885GRIK2 2136/4885CTSK 814/4885

“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.