SCHEMBL21562976

SCHEMBL21562976

COC(=O)[C@H]1C[C@H](c2nc3c(o2)CC(C(=O)OCc2ccccc2)CC3)C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 1/20 0.39
CYP2C9 P11712 3/20 0.38
CYP2C19 P33261 3/20 0.38
TSHR P16473 2/20 0.38
CYP3A4 P08684 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP2D6 P10635 1/20 0.38
STS P08842 1/20 0.37
FAAH O00519 2/20 0.37
NAMPT P43490 1/20 0.37
HPGD P15428 1/20 0.36
FKBP1A P62942 1/20 0.36
LMNA P02545 1/20 0.36
PDK1 Q15118 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL23647021 1.00 CPB1 (0.39) CPB1CYP2C9CYP2C19TSHRCYP3A4
SCHEMBL21563069 0.92 FAAH (0.37) CPB1CYP2C9CYP2C19TSHRCYP3A4
SCHEMBL23646969 0.92 FAAH (0.37) CPB1CYP2C9CYP2C19TSHRCYP3A4
SCHEMBL21563112 0.83 FAAH (0.44) CPB1CYP2C9CYP2C19TSHRCYP3A4
SCHEMBL21562872 0.82 PDK1 (0.38) CYP1A2PDK1
SCHEMBL23646957 0.82 PDK1 (0.38) CYP1A2PDK1
SCHEMBL21549849 0.79 KDM4E (0.42) CPB1CYP2C9CYP2C19TSHRCYP3A4
SCHEMBL23647009 0.79 PDK1 (0.31) PDK1
SCHEMBL21562869 0.79 PDK1 (0.31) PDK1
SCHEMBL21563111 0.78 TSHR (0.41) CYP2C9CYP2C19TSHRCYP3A4ALDH1A1

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-20210220356-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2021-07-22 US disclosed
US-20210220356-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2021-07-22 US disclosed
CN-112638883-A Dihydropyrimidine derivatives and their use in the treatment of HBV infection or HBV-induced diseases 爱尔兰詹森科学公司 2021-04-09 CN disclosed
WO-2019214610-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2019-11-14 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-20210220356-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES DPYD, TYMP, HAVCR2 CPB1 842/4885CYP2C9 991/4885CYP2C19 847/4885

“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.