SCHEMBL23977889

SCHEMBL23977889

COc1c(C)cccc1OCC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
PTPN1 P18031 1/20 0.39
SCN8A Q9UQD0 5/20 0.38
TSHR P16473 2/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
THRB P10828 1/20 0.38
G6PD P11413 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NFE2L2 Q16236 1/20 0.37
SCN9A Q15858 2/20 0.37

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
SCHEMBL8570866 0.89 PTPN1 (0.41) PTPN1SCN8ATSHRMAPTL3MBTL1
SCHEMBL16280979 0.81 SCN4A (0.47) SCN8ATSHRALDH1A1SCN9ASCN4A
SCHEMBL16952076 0.81 SMN1; SMN2 (0.35) SMN1; SMN2TSHRMAPTL3MBTL1KDM4E
SCHEMBL19563032 0.80 HTR1B (0.51) SMN1; SMN2TSHRMAPTL3MBTL1KDM4E
SCHEMBL4523648 0.80 ALDH1A1 (0.47) TSHRMAPTL3MBTL1KDM4EMEN1
SCHEMBL23977878 0.79 ALDH1A1 (0.40) MAPTL3MBTL1KDM4EMEN1USP2
SCHEMBL3077213 0.78 ALDH1A1 (0.44) SMN1; SMN2PTPN1SCN8ATSHRMAPT
SCHEMBL16952078 0.78 NFE2L2 (0.46) SMN1; SMN2TSHRMAPTKDM4EMEN1
SCHEMBL3581845 0.78 CA1 (0.49) SMN1; SMN2KDM4EALDH1A1NFE2L2LMNA
SCHEMBL23977882 0.77 HSP90AA1 (0.39) MAPTL3MBTL1KDM4EMEN1USP2

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-20230136562-A1 SPIROUREA DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2023-05-04 US disclosed
US-20230136562-A1 SPIROUREA DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2023-05-04 US disclosed
WO-2021219594-A1 SPIROUREA DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2021-11-04 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-20230136562-A1 SPIROUREA DERIVATIVES KCNA7, PKD2, KCNN3 SMN1; SMN2 4452/4885PTPN1 2012/4885SCN8A 59/4885

“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.