SCHEMBL4525027

SCHEMBL4525027

N[C@@H](Cc1c[nH]cn1)C(=O)c1nccs1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
GRIK1 P39086 1/20 0.34
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 0.34
GRIA4 P48058 1/20 0.34
GRIK2 Q13002 1/20 0.34
GRIK3 Q13003 1/20 0.34
GRIK4 Q16099 1/20 0.34
GRIK5 Q16478 1/20 0.34
PLA2G4A P47712 2/20 0.32
CES1 P23141 1/20 0.31
CTSK P43235 1/20 0.31
FDPS P14324 1/20 0.31
F10 P00742 1/20 0.31

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
SCHEMBL27554566 0.76 CYP3A4 (0.33)
Histidine SCHEMBL10879497 0.75 CYP1A2 (0.47) ALDH1A1GRIK1GRIA1GRIA2GRIA3
Hydrochloric Acid SCHEMBL9767650 0.75 CYP1A2 (0.34)
Histidine SCHEMBL4406902 0.75 CYP1A2 (0.47) ALDH1A1GRIK1GRIA1GRIA2GRIA3
Histidine SCHEMBL3258 0.75 SLC7A5 (0.47) ALDH1A1GRIK1GRIA1GRIA2GRIA3
Histidine SCHEMBL3259 0.75 SLC7A5 (0.47) ALDH1A1GRIK1GRIA1GRIA2GRIA3
Histidine SCHEMBL163442 0.75 SLC7A5 (0.47) ALDH1A1GRIK1GRIA1GRIA2GRIA3
Histidine SCHEMBL163443 0.75 SLC7A5 (0.47) ALDH1A1GRIK1GRIA1GRIA2GRIA3
Histidine SCHEMBL18824897 0.75 SLC7A5 (0.47) ALDH1A1GRIK1GRIA1GRIA2GRIA3
Histidine SCHEMBL388563 0.75 SLC7A5 (0.47) ALDH1A1GRIK1GRIA1GRIA2GRIA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802861-B2 Thiazole derivatives and use thereof MERCK SERONO SA (CH) 2014-08-12 US disclosed
US-20090029998-A1 Thiazole Derivatives and Use Thereof APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2009-01-29 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 (1 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-20090029998-A1 Thiazole Derivatives and Use Thereof PDGFRB, PDGFRA, TEC ALDH1A1 174/4885GRIK1 1663/4885GRIA1 600/4885

“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.