SCHEMBL21679079

SCHEMBL21679079

CCOC(=O)CC(=O)C1CCC(c2nc(C(=O)O)no2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 4/20 0.40
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
KDM1A O60341 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
FABP4 P15090 1/20 0.32
FABP5 Q01469 1/20 0.32
MMP2 P08253 1/20 0.31
BMP1 P13497 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 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
SCHEMBL30046852 0.91 SMYD3 (0.40) SMYD3KDM4EGAAMEN1KMT2A
SCHEMBL21679095 0.78 SMYD3 (0.40) SMYD3KDM4EGAAKDM1AMMP2
SCHEMBL17646030 0.77 SMYD3 (0.54) SMYD3GAATUBB4ATUBBTUBA3C
SCHEMBL17645769 0.76 SMYD3 (0.46) SMYD3GAAMMP2BMP1TSHR
SCHEMBL1014646 0.74 GAA (0.58) SMYD3MGAMGAASIMGAM2
SCHEMBL21679392 0.73 MEN1 (0.36) KDM4EMGAMGAASIMGAM2
SCHEMBL21679494 0.72 NLRP3 (0.35) KDM4EL3MBTL1GAAMEN1KMT2A
SCHEMBL12187854 0.72 SMYD3 (0.49) SMYD3KDM4EL3MBTL1GAAKDM1A
SCHEMBL21679366 0.71 CCNE1 (0.38) GAAMEN1KMT2AHSD17B10
SCHEMBL21679076 0.71 MMP2 (0.38) SMYD3KDM4EGAAMEN1KMT2A

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-11053235-B2 Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases Janssen Sciences Ireland Unlimited Company (IE) 2021-07-06 US disclosed
US-20200048242-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2020-02-13 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-11053235-B2 Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases DPYD, TYMP, HAVCR2 SMYD3 2149/4885KDM4E 2429/4885L3MBTL1 1760/4885
US-20200048242-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES DPYD, HAVCR2, TYMP SMYD3 2734/4885KDM4E 3791/4885L3MBTL1 2565/4885

“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.