SCHEMBL20179858

SCHEMBL20179858

CC(C)N1CC(OCC(=O)O)C1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.35
ITGA2B P08514 3/20 0.35
CYP1A2 P05177 1/20 0.33
POLA1 P09884 1/20 0.32
CDC25A P30304 1/20 0.32
PDK2 Q15119 1/20 0.32
PTGIR P43119 2/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL26730038 0.86 ITGB3 (0.40) ITGB3ITGA2BPTGIR
SCHEMBL26209238 0.86 ITGB3 (0.40) ITGB3ITGA2BPTGIR
SCHEMBL22329119 0.81 KHK (0.31) ITGB3ITGA2BPOLA1CDC25A
SCHEMBL21191170 0.79
SCHEMBL29173291 0.78 PDK2 (0.33) ITGB3ITGA2BPDK2
SCHEMBL22329104 0.78 MAPT (0.30) MAPT
SCHEMBL21146867 0.78 MAPT (0.30) MAPT
SCHEMBL8948689 0.74 CYP3A4 (0.35) ITGB3ITGA2BCYP1A2PDK2PTGIR
SCHEMBL8948647 0.73 ATM (0.52) ITGB3ITGA2BPDK2PTGIR
SCHEMBL15764113 0.73 CYP1A2 (0.38) CYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200253971-A1 DIHYDROPYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-08-13 US disclosed
US-10696669-B2 Dihydropyrimidine compound and preparation method and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICALS CO., LTD. (CN) 2020-06-30 US disclosed
WO-2018090862-A1 DIHYDROPYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2018-05-24 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 (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-20200253971-A1 DIHYDROPYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF DPYD, DHPS, HPRT1 ITGB3 4803/4885ITGA2B 4668/4885CYP1A2 195/4885
US-10696669-B2 Dihydropyrimidine compound and preparation method and use thereof DPYD, TYMP, DHPS ITGB3 4759/4885ITGA2B 4686/4885CYP1A2 426/4885

“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.