SCHEMBL21987152

SCHEMBL21987152

CC(C)(CS(=O)(=O)Cl)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.39
ELANE P08246 1/20 0.36
TSHR P16473 3/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
GGT1 P19440 1/20 0.31
NOS2 P35228 1/20 0.31
TP53 P04637 1/20 0.30

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
SCHEMBL9322350 0.79 TSHR (0.38) ACLYELANETSHRALDH1A1CYP2D6
SCHEMBL7329293 0.77 ELANE (0.37) ACLYELANETSHRALDH1A1CYP2D6
SCHEMBL6555692 0.77 ELANE (0.37) ACLYELANETSHRALDH1A1CYP2D6
SCHEMBL31531056 0.75 ELANE (0.36) ACLYELANETSHRALDH1A1CYP2D6
SCHEMBL16795968 0.75 ELANE (0.36) ACLYELANETSHRALDH1A1CYP2D6
SCHEMBL31531058 0.75 ELANE (0.36) ACLYELANETSHRALDH1A1CYP2D6
SCHEMBL23539152 0.75 DGAT1 (0.35)
SCHEMBL20624911 0.73 DGAT1 (0.39)
SCHEMBL20673372 0.70 CYP2C9 (0.35) ACLYELANETSHRALDH1A1CYP2D6
SCHEMBL2325123 0.70 POLB (0.33) ALDH1A1

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 ACLY 1423/4885ELANE 2114/4885TSHR 4103/4885
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections HCCS, HAVCR2, NR1H4 ACLY 2563/4885ELANE 3836/4885TSHR 3525/4885

“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.