SCHEMBL31269821

SCHEMBL31269821

C#CCNc1cc(F)c(S(C)(=O)=O)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 4/20 0.47
▸ PTAFR P25105 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPT P10636 1/20 0.35
▸ GAA P10253 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GRM1 Q13255 1/20 0.34
▸ PTGES2 Q9H7Z7 1/20 0.33
▸ PDE5A O76074 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE1A P54750 1/20 0.33
▸ PDE1B Q01064 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE1C Q14123 1/20 0.33
▸ PDE3A Q14432 1/20 0.33

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
SCHEMBL23144014 1.00 LRRK2 (0.47) LRRK2PTAFRSMN1; SMN2ALDH1A1MAPT
SCHEMBL23156236 0.86 LRRK2 (0.44) LRRK2PTAFRSMN1; SMN2ALDH1A1GAA
SCHEMBL23144476 0.75 KDM4E (0.47) LRRK2ALDH1A1MAPTMAPK1KMT2A
SCHEMBL31363251 0.75 KDM4E (0.43) LRRK2SMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL25030653 0.75 GRM1 (0.34) GRM1LMNA
SCHEMBL29812116 0.75 LRRK2 (0.35) LRRK2KMT2AGRM1LMNAPOLB
SCHEMBL23144232 0.75 LRRK2 (0.35) LRRK2KMT2AGRM1LMNAPOLB
SCHEMBL31363915 0.74 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1MAPTMAPK1KMT2A
SCHEMBL23144748 0.74 TOP2B (0.48) LRRK2SMN1; SMN2ALDH1A1MAPK1PDE4A
SCHEMBL30870921 0.74 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1MAPTMAPK1KMT2A

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-20240400591-A1 COMPOUNDS TARGETING MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-12-05 — — US claimed
WO-2025059074-A1 BICYCLIC COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2025-03-20 — — WO disclosed
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 LRRK2 1073/4885PTAFR 454/4885SMN1; SMN2 4553/4885

“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.

Send feedback