SCHEMBL594100

SCHEMBL594100

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 13/20 1.00
GRIK2 Q13002 13/20 1.00
SLC1A1 P43005 3/20 0.57
SLC1A3 P43003 3/20 0.55
SLC1A2 P43004 3/20 0.55

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
SCHEMBL15312401 1.00 GRIK1 (1.00) GRIK1GRIK2SLC1A1SLC1A3SLC1A2
SCHEMBL7751545 1.00 GRIK1 (1.00) GRIK1GRIK2SLC1A1SLC1A3SLC1A2
SCHEMBL594101 1.00 GRIK1 (1.00) GRIK1GRIK2SLC1A1SLC1A3SLC1A2
Hydrochloric Acid SCHEMBL9087042 0.98 GRIK1 (0.96) GRIK1GRIK2SLC1A1SLC1A3SLC1A2
Hydrochloric Acid SCHEMBL9087046 0.98 GRIK1 (0.96) GRIK1GRIK2SLC1A1SLC1A3SLC1A2
SCHEMBL6050002 0.87 GRIK1 (0.75) GRIK1GRIK2SLC1A1SLC1A3SLC1A2
SCHEMBL9647546 0.83 SLC1A1 (0.77) GRIK1GRIK2SLC1A1SLC1A3SLC1A2
SCHEMBL23834363 0.82 GRIK1 (0.69) GRIK1GRIK2SLC1A1SLC1A3SLC1A2
SCHEMBL23834361 0.82 GRIK1 (0.69) GRIK1GRIK2SLC1A1SLC1A3SLC1A2
Hydrochloric Acid SCHEMBL23834395 0.81 GRIK1 (0.67) GRIK1GRIK2SLC1A1SLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9629911-B2 Photoreactive regulator of protein function and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-04-25 US disclosed
US-20150224193-A1 PHOTOREACTIVE REGULATOR OF PROTEIN FUNCTION AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-08-13 US disclosed
US-9097707-B2 Photoreactive regulator of protein function and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-08-04 US disclosed
US-20130137113-A1 Photoreactive Regulator of Protein Function and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-30 US disclosed
US-8309350-B2 Photoreactive regulator of protein function and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-13 US disclosed
US-20120190094-A1 Photoreactive Regulator of Protein Function and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2012-07-26 US disclosed
US-8114843-B2 Photoreactive regulator of protein function and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-02-14 US disclosed
US-20070128662-A1 Photoreactive regulator of protein function and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2007-06-07 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 (2 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-20150224193-A1 PHOTOREACTIVE REGULATOR OF PROTEIN FUNCTION AND METHODS OF USE THEREOF PPP1R10, PPP6R3, ANKRD52 GRIK1 3703/4885GRIK2 3511/4885SLC1A1 3460/4885
US-20070128662-A1 Photoreactive regulator of protein function and methods of use thereof PPP1R10, PPP6R3, ANKRD52 GRIK1 3703/4885GRIK2 3511/4885SLC1A1 3460/4885

“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.