SCHEMBL31270117

SCHEMBL31270117

C#CCN(C(=O)OC(C)(C)C)c1ccc(S(C)(=O)=O)c2ccn(S(=O)(=O)c3ccccc3)c12

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 17/20 0.35
▸ HTR1A P08908 3/20 0.34
▸ HTR7 P34969 3/20 0.34
▸ DRD2 P14416 3/20 0.34
▸ DRD3 P35462 3/20 0.34
▸ HTR1D P28221 2/20 0.34
▸ HTR1B P28222 2/20 0.34
▸ HTR1F P30939 2/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ BCHE P06276 1/20 0.33
▸ PIK3C3 Q8NEB9 1/20 0.33
▸ F2 P00734 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 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
SCHEMBL31304832 0.73 — —
SCHEMBL31270507 0.73 HTR6 (0.39) HTR6BCHEPIK3C3
SCHEMBL25032374 0.73 HTR6 (0.39) HTR6BCHEPIK3C3
SCHEMBL29212344 0.72 HTR6 (0.40) HTR6HTR1AHTR7DRD2DRD3
SCHEMBL20927651 0.70 F2 (0.34) MAOAMAOBF2
SCHEMBL23144580 0.69 PDK1 (0.37) —
SCHEMBL29811656 0.69 PDK1 (0.37) —
SCHEMBL25032365 0.68 HTR6 (0.44) HTR6HTR1AHTR7DRD2DRD3
SCHEMBL30184592 0.68 HTR6 (0.44) HTR6HTR1AHTR7DRD2DRD3
SCHEMBL23144640 0.68 SMN1; SMN2 (0.40) DRD2DRD3CYP2D6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400591-A1 COMPOUNDS TARGETING MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-12-05 — — 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 (1 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-20240400591-A1 COMPOUNDS TARGETING MUTANT OF P53 TP53, TP53BP1, MDM2 HTR6 3835/4885HTR1A 4528/4885HTR7 4050/4885

“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.

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