SCHEMBL7450346

SCHEMBL7450346

NC(CC#Cc1ccccc1)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.73
GRIK2 Q13002 1/20 0.73
HTR2A P28223 1/20 0.59
MMP13 P45452 6/20 0.49
ALPI P09923 1/20 0.48
PKM P14618 1/20 0.48
PTGS1 P23219 1/20 0.48
XIAP P98170 1/20 0.48
SLC7A5 Q01650 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
THPO P40225 1/20 0.48
MMP2 P08253 5/20 0.48
SLC1A5 Q15758 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
PIN1 Q13526 1/20 0.46
MMP3 P08254 4/20 0.44

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
SCHEMBL23138631 1.00 GRIK1 (0.73) GRIK1GRIK2HTR2AMMP13ALPI
SCHEMBL7786187 0.85 GRIK1 (1.00) GRIK1GRIK2HTR2ASLC1A3SLC1A2
SCHEMBL7703039 0.85 GRIK1 (1.00) GRIK1GRIK2HTR2ASLC1A3SLC1A2
SCHEMBL7703041 0.85 GRIK1 (1.00) GRIK1GRIK2HTR2ASLC1A3SLC1A2
SCHEMBL2831614 0.84 GRIK1 (0.55) GRIK1GRIK2HTR2AMMP13ALPI
SCHEMBL23139375 0.84 GRIK1 (0.55) GRIK1GRIK2HTR2AMMP13ALPI
SCHEMBL24637141 0.84 GRIK1 (0.55) GRIK1GRIK2HTR2AMMP13MMP2
SCHEMBL23139425 0.82 GRIK1 (0.60) GRIK1GRIK2HTR2AALPIPKM
SCHEMBL24814159 0.82 GRIK1 (0.56) GRIK1GRIK2HTR2AMMP13CYP1A2
SCHEMBL29178391 0.82 GRIK1 (0.56) GRIK1GRIK2HTR2AMMP13CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF RAYZEBIO, INC. 2023-05-25 US disclosed
US-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF RAYZEBIO, INC. 2023-05-25 US disclosed
EP-1165501-A1 ALKENYL- AND ALKYNYL-CONTAINING METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2002-01-02 EP disclosed
WO-2000051975-A1 ALKENYL- AND ALKYNYL-CONTAINING METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2000-09-08 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 (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-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF PAICS, LNPEP, DNPEP GRIK1 2914/4885GRIK2 3197/4885HTR2A 4454/4885

“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.