SCHEMBL19938124

SCHEMBL19938124

CC(C)(C)C1(O)CCCCC1=O

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.31
GRIN1 Q05586 3/20 0.31
GRIN2A Q12879 3/20 0.31
SLC6A4 P31645 2/20 0.31
GRIN2D O15399 2/20 0.31
GRIN3B O60391 2/20 0.31
GRIN2B Q13224 2/20 0.31
GRIN2C Q14957 2/20 0.31
GRIN3A Q8TCU5 2/20 0.31
OPRK1 P41145 1/20 0.31
LMNA P02545 1/20 0.31
OPRM1 P35372 1/20 0.31
CACNA1C Q13936 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
SCHEMBL23794079 0.96
SCHEMBL8618471 0.73 GRIN1 (0.33) GRIN1GRIN2ASLC6A4GRIN2DGRIN3B
SCHEMBL8677429 0.70
SCHEMBL8623989 0.70
SCHEMBL7757227 0.70 GRIN1 (0.31) GRIN1GRIN2ASLC6A4GRIN2DGRIN3B
SCHEMBL2076716 0.69
SCHEMBL4355834 0.69
SCHEMBL19411896 0.68 POLB (0.39) POLBGRIN1GRIN2ASLC6A4GRIN2D
SCHEMBL19411897 0.68 POLB (0.39) POLBGRIN1GRIN2ASLC6A4GRIN2D
SCHEMBL12857078 0.68

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-20230399309-A1 DEUTERATED HPK1 KINASE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF Guangzhou Yufan Nantu Biotechnologies Co., Ltd (CN) 2023-12-14 US disclosed
US-20210040119-A1 PROCESS FOR THE PREPARATION OF A SUBSTITUTED IMIDAZOTHIAZOLONE COMPOUND DSM IP ASSETS BV (NL) 2021-02-11 US disclosed
US-20180065990-A1 PROCESS FOR THE PREPARATION OF A SUBSTITUTED IMIDAZOTHIAZOLONE COMPOUND DSM IP ASSETS B.V. (NL) 2018-03-08 US disclosed
US-20180065990-A1 PROCESS FOR THE PREPARATION OF A SUBSTITUTED IMIDAZOTHIAZOLONE COMPOUND DSM IP ASSETS B.V. (NL) 2018-03-08 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 (3 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-20230399309-A1 DEUTERATED HPK1 KINASE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF WEE1, WEE2, VRK1 POLB 3863/4885GRIN1 1836/4885GRIN2A 4386/4885
US-20210040119-A1 PROCESS FOR THE PREPARATION OF A SUBSTITUTED IMIDAZOTHIAZOLONE COMPOUND ABL1, KRAS, FLI1 POLB 3020/4885GRIN1 2200/4885GRIN2A 1712/4885
US-20180065990-A1 PROCESS FOR THE PREPARATION OF A SUBSTITUTED IMIDAZOTHIAZOLONE COMPOUND ABL1, KRAS, FLI1 POLB 3045/4885GRIN1 2253/4885GRIN2A 1785/4885

“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.