SCHEMBL22457461

SCHEMBL22457461

CC(C)C(C)CNS(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 3/20 0.40
PER2 O15055 1/20 0.33
CRY1 Q16526 1/20 0.33
CRY2 Q49AN0 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GRIA1 P42261 3/20 0.31
CA2 P00918 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
SCHEMBL91255 0.78
SCHEMBL22457223 0.77 CA1 (0.39) GRIA1CA2
SCHEMBL22457462 0.75 CA12 (0.35)
SCHEMBL12898950 0.75 GRIA4 (0.46) GRIA4PER2CRY1CRY2ALDH1A1
SCHEMBL2843643 0.74
SCHEMBL16611402 0.74
SCHEMBL2062127 0.74
SCHEMBL12884417 0.73 GRIA4 (0.44) GRIA4PER2CRY1CRY2
SCHEMBL12203090 0.72 GRIA4 (0.43) GRIA4PER2CRY1CRY2
SCHEMBL17109065 0.72 GRIA4 (0.39) GRIA4PER2CRY1CRY2ALDH1A1

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-11407729-B2 Quinoline and quinazoline compounds and methods of use thereof Stingray Therapeutics, Inc. (US) 2022-08-09 US disclosed
US-20200299258-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF STINGRAY THERAPEUTICS INC (US) 2020-09-24 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-20200299258-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ENPP1, ENPP3, PDE7A GRIA4 2713/4885PER2 2545/4885CRY1 1922/4885
US-11407729-B2 Quinoline and quinazoline compounds and methods of use thereof ENPP1, ENPP3, PDE7A GRIA4 2713/4885PER2 2545/4885CRY1 1922/4885

“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.