Sugi Predict

Sugi Predict / Compounds / SCHEMBL21987331

SCHEMBL21987331

SCHEMBL21987331

Cc1ccc(S(=O)(=O)OC2CC(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ CYP2D6 P10635 2/20 0.41
▸ CYP1A2 P05177 1/20 0.36
▸ KEAP1 Q14145 1/20 0.35
▸ NFE2L2 Q16236 1/20 0.35
▸ VDR P11473 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ NAAA Q02083 1/20 0.33
▸ GAA P10253 2/20 0.33
▸ BCHE P06276 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ BACE1 P56817 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ CA12 O43570 1/20 0.32

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
SCHEMBL6948639 0.92 CYP3A4 (0.41) CYP3A4CYP2C19CYP2D6CYP1A2KEAP1
SCHEMBL6951829 0.92 CYP3A4 (0.41) CYP3A4CYP2C19CYP2D6CYP1A2KEAP1
SCHEMBL27003569 0.90 CYP2D6 (0.46) CYP3A4CYP2C19CYP2D6CYP1A2KEAP1
SCHEMBL25106397 0.90 CYP2D6 (0.46) CYP3A4CYP2C19CYP2D6CYP1A2KEAP1
SCHEMBL22283565 0.85 CYP3A4 (0.39) CYP3A4CYP2C19CYP2D6CYP1A2KEAP1
SCHEMBL6950985 0.82 POLB (0.32) CYP3A4CYP2C19
SCHEMBL16720978 0.81 CYP2D6 (0.45) CYP3A4CYP2C19CYP2D6CYP1A2KEAP1
SCHEMBL16720982 0.81 CYP2D6 (0.45) CYP3A4CYP2C19CYP2D6CYP1A2KEAP1
SCHEMBL31731573 0.79 CYP3A4 (0.38) CYP3A4CYP2C19CYP2D6CYP1A2KEAP1
SCHEMBL29535617 0.78 CYP2D6 (0.42) CYP3A4CYP2C19CYP2D6CYP1A2KEAP1

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 3 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
CN-115867553-A Diaminopyrazolo [1,5-a ] pyrimidine-6-carbonitrile compounds as adenosine 2A receptor and adenosine 2B receptor antagonists 巴格沃克斯研究有限公司 2023-03-28 — — CN 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 CYP3A4 215/4885CYP2C19 689/4885CYP2D6 334/4885
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections HCCS, HAVCR2, NR1H4 CYP3A4 42/4885CYP2C19 128/4885CYP2D6 28/4885

“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.