SCHEMBL21987604

SCHEMBL21987604

CC(C)(C)[Si](OCC1CC(CO)CCN1C(=O)O)(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 2/20 0.35
RIPK1 Q13546 2/20 0.34
HTR2C P28335 2/20 0.33
HTR2A P28223 1/20 0.32
SLC18A3 Q16572 1/20 0.32
RBP4 P02753 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL21987810 0.90 KDM4E (0.40) KDM4EPKMALDH1A1
SCHEMBL21987812 0.90 KDM4E (0.40) KDM4EPKMALDH1A1
SCHEMBL21987485 0.89 SMYD2 (0.35) SMYD2RIPK1CYP3A4HTTSMN1; SMN2
SCHEMBL19898543 0.81 SMYD2 (0.35) SMYD2RIPK1CYP3A4HTTSMN1; SMN2
SCHEMBL2392272 0.81 SMYD2 (0.33) SMYD2RIPK1
SCHEMBL25364479 0.80 RIPK1 (0.42) SMYD2RIPK1CYP3A4HTTSMN1; SMN2
SCHEMBL18587707 0.80 RIPK1 (0.42) SMYD2RIPK1CYP3A4HTTSMN1; SMN2
SCHEMBL25365732 0.80 RIPK1 (0.42) SMYD2RIPK1CYP3A4HTTSMN1; SMN2
SCHEMBL2146189 0.80 RIPK1 (0.42) SMYD2RIPK1CYP3A4HTTSMN1; SMN2
SCHEMBL21987437 0.79 KDM4E (0.38) SMYD2KDM4EPKMALDH1A1SMN1; SMN2

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-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections JANSSEN PHARMACEUTICA NV (BE) 2023-05-02 US disclosed
US-20200172532-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2020-06-04 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-20200172532-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HCCS, PYGL SMYD2 3852/4885RIPK1 2890/4885HTR2C 3824/4885
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections HCCS, HAVCR2, NR1H4 SMYD2 4324/4885RIPK1 4017/4885HTR2C 2647/4885

“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.