SCHEMBL23635700

SCHEMBL23635700

Cn1c(C(F)(F)F)cc(=S)n(C)c1=O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAOB P27338 1/20 0.31
ADORA2A P29274 1/20 0.31
RECQL P46063 1/20 0.31
EGFR P00533 1/20 0.31
LMNA P02545 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
SCHEMBL24960599 0.82 KDM4E (0.31) KDM4EALDH1A1
SCHEMBL25061495 0.80 ALDH1A1 (0.34) GAAKDM4EALDH1A1
SCHEMBL23635701 0.79 CA2 (0.31)
SCHEMBL5162572 0.79 RECQL (0.41) GAASMN1; SMN2KDM4EALDH1A1RECQL
SCHEMBL25061747 0.74 TNF (0.38) SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL23635695 0.70 ATAD2 (0.38) GAASMN1; SMN2KDM4EALDH1A1RECQL
SCHEMBL24961578 0.69
SCHEMBL24960586 0.69 KMT2A (0.36)
SCHEMBL20870875 0.69 RECQL (0.32) GAASMN1; SMN2ALDH1A1RECQLEGFR
SCHEMBL6282308 0.69 GAA (0.39) GAASMN1; SMN2KDM4EALDH1A1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230053699-A1 SUBSTITUTED-ISOXAZOLINE-CONTAINING AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-02-23 US disclosed
WO-2021143677-A1 FUSED RING SUBSTITUTED AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION, AND USE THEREOF 青岛清原化合物有限公司 2021-07-22 WO disclosed
WO-2021139498-A1 ISOXAZOLINE OXIME CARBOXYLATE COMPOUND, PREPARATION METHOD THEREFOR, AND HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2021-07-15 WO disclosed
WO-2021139482-A1 CARBOXYLIC ACID DERIVATIVE-SUBSTITUTED IMINO ARYL COMPOUND, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2021-07-15 WO 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-20230053699-A1 SUBSTITUTED-ISOXAZOLINE-CONTAINING AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF CYP4X1, CYP4F11, CBR3 GAA 1983/4885SMN1; SMN2 4858/4885KDM4E 577/4885

“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.