SCHEMBL21987509

SCHEMBL21987509

Cc1ccc(S(=O)(=O)OC[C@H]2CC[C@](C)(C(=O)O)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.41
CTDSP1 Q9GZU7 1/20 0.40
SIRT5 Q9NXA8 1/20 0.40
ALDH1A1 P00352 4/20 0.40
CYP2C9 P11712 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2D6 P10635 2/20 0.38
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
ENPP3 O14638 2/20 0.37
ENPP1 P22413 2/20 0.37
ENPP2 Q13822 2/20 0.37
CYP2C19 P33261 2/20 0.36
STS P08842 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
CYP1A2 P05177 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CYP3A4 P08684 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
SCHEMBL21987513 1.00 STAT3 (0.41) STAT3CTDSP1SIRT5ALDH1A1CYP2C9
SCHEMBL23524607 0.87 CYP2C9 (0.44) STAT3CTDSP1SIRT5ALDH1A1CYP2C9
SCHEMBL25308618 0.85 CYP2D6 (0.40) STAT3ALDH1A1CYP2C9MEN1KMT2A
SCHEMBL25307247 0.85 CYP2D6 (0.40) STAT3ALDH1A1CYP2C9MEN1KMT2A
SCHEMBL25307250 0.85 CYP2D6 (0.40) STAT3ALDH1A1CYP2C9MEN1KMT2A
SCHEMBL23151947 0.85 CYP2D6 (0.40) STAT3ALDH1A1CYP2C9MEN1KMT2A
SCHEMBL26655196 0.81 CYP2D6 (0.45) STAT3ALDH1A1CYP2C9MEN1KMT2A
SCHEMBL7032005 0.81 CYP2D6 (0.45) STAT3ALDH1A1CYP2C9MEN1KMT2A
SCHEMBL26655167 0.81 CYP2D6 (0.45) STAT3ALDH1A1CYP2C9MEN1KMT2A
SCHEMBL7166740 0.81 CYP2D6 (0.45) STAT3ALDH1A1CYP2C9MEN1KMT2A

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 STAT3 2655/4885CTDSP1 382/4885SIRT5 2338/4885
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections HCCS, HAVCR2, NR1H4 STAT3 3882/4885CTDSP1 157/4885SIRT5 2271/4885

“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.